(Q105380890)

English

(1R,8R,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yltetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4,8-Trihydroxy-11,11-dimethyl-5-propan-2-yltetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

1 reference

based on heuristic

inferred from SMILES

mass

344.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₄

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canonical SMILES

O=C1CC2C(O)C3=CC(=C(O)C(O)=C3C14CCCC(C)(C)C24)C(C)C

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isomeric SMILES

CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](CC3=O)[C@H]2O

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found in taxon

Salvia officinalis

1 reference

stated in

Apianane terpenoids from Salvia officinalis

Salvia pachyphylla

1 reference

stated in

Abietane diterpenoids from Salvia pachyphylla and S. clevelandii with cytotoxic activity against human cancer cell lines.

Rosmarinus officinalis

1 reference

stated in

Diterpenoid quinones from rosemary (Rosmarinus officinalis L.).

Identifiers

InChI

InChI=1S/C21H28O4/c1-10(2)11-8-12-15(18(25)17(11)24)21-7-5-6-20(3,4)19(21)13(16(12)23)9-14(21)22/h8,10,13,16,19,23-25H,5-7,9H2,1-4H3/t13-,16+,19+,21+/m1/s1

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InChIKey

ZPGPREPDSQALNB-CCNVXBGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPGPREPDSQALNB-CCNVXBGZSA-N

1 reference

(Q105380890)

(1R,8R,9S,10S)-3,4,8-trihydroxy-11,11-dimethyl-5-propan-2-yltetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

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Identifiers

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