(Q105325613)

English

(4aS,9R,10aS)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aS,9S,10aS)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4aS,9R,10aR)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

0 references

canonical SMILES

O=C1C(=C(O)C(=O)C2=C1C(OC(=O)C)CC3C2(C)CCCC3(C)C)C(C)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C(O)C2=O

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found in taxon

Salvia amplexicaulis

2 references

stated in

Cardioactive and antibacterial terpenoids from some Salvia species

stated in

Cardioactive diterpenoids from the roots of Salvia amplexicaulis

Salvia austriaca

1 reference

stated in

Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots

Salvia blepharochlaena

3 references

stated in

Cardioactive and antibacterial terpenoids from some Salvia species

stated in

Antibacterial Diterpenes from the Roots ofSalviablepharochlaena

stated in

Antibacterial Diterpenes from the Roots ofSalviablepharochlaena

Salvia bracteata

1 reference

stated in

Diterpenoids from the roots of Salvia bracteata

Salvia eriophora

2 references

stated in

Cardioactive and antibacterial terpenoids from some Salvia species

stated in

Cardioactive diterpenes from the roots of Salvia eriophora.

Salvia tomentosa

1 reference

stated in

Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots

Salvia verticillata

1 reference

stated in

Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots

Hyptis comaroides

2 references

stated in

In vitro cytotoxic activity of abietane diterpenes from Peltodon longipes as well as Salvia miltiorrhiza and Salvia sahendica.

stated in

In vitro cytotoxic activity of abietane diterpenes from Peltodon longipes as well as Salvia miltiorrhiza and Salvia sahendica.

Peltodon longipes

2 references

stated in

In vitro cytotoxic activity of abietane diterpenes from Peltodon longipes as well as Salvia miltiorrhiza and Salvia sahendica.

stated in

In vitro cytotoxic activity of abietane diterpenes from Peltodon longipes as well as Salvia miltiorrhiza and Salvia sahendica.

Inula royleana

1 reference

stated in

Inuroyleanol and 7-ketoroyleanone, two novel diterpenoids of Inula royleana DC

Salvia absconditiflora

1 reference

stated in

Abietna diterpenoids from the roots of Salvia cryptantha

Salvia deserta

1 reference

stated in

Constituents of Roots of Salvia deserta SCHANG. (Xinjiang-Danshen)

Salvia fruticulosa

1 reference

stated in

Abietane type diterpenoids from Salvia fruticulosa. A revision of the structure of fruticulin B

Salvia lavanduloides

1 reference

stated in

Abietane and neo-clerodane diterpenoids from Salvia lavanduloides

Salvia nutans

1 reference

stated in

12-Deoxy-6,7-dehydroroyleanone, 12-deoxy-6-hydroxy-6,7-dehydroroyleanone and 12-deoxy-7,7-dimethoxy-6-ketoroyleanone from Salvia nutans roots

meadow clary

1 reference

stated in

Bestandteile von Salvia officinalis

Salvia pubescens

1 reference

stated in

Abietane diterpenoids from Salvia pubescens☆

Salvia deserti

1 reference

stated in

Constituents of Roots of Salvia deserta SCHANG. (Xinjiang-Danshen)

Salvia sahendica

1 reference

stated in

Abietane diterpenoids from Salvia sahendica--antiprotozoal activity and determination of their absolute configurations

Salvia officinalis

1 reference

stated in

Diterpenoids from Salvia glutinosa, S. austriaca, S. tomentosa and S. verticillata roots

Identifiers

InChI

InChI=1S/C22H30O5/c1-11(2)15-18(24)16-13(27-12(3)23)10-14-21(4,5)8-7-9-22(14,6)17(16)20(26)19(15)25/h11,13-14,25H,7-10H2,1-6H3/t13-,14+,22+/m1/s1

0 references

InChIKey

XDBVTCDGDQLEKG-QLEMLULZSA-N

0 references

CAS Registry Number

6812-88-0

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

DSSTox substance ID

DTXSID701316247

1 reference

matched by identifier from

InChIKey

XDBVTCDGDQLEKG-QLEMLULZSA-N

(Q105325613)

(4aS,9R,10aS)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl acetate

Statements

Identifiers

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