(Q104253220)

English

(1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid

1 reference

1 reference

300.208930136 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

epi-dehydroabietic acid

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

(+)-Dehydroabietic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₂

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3CCC12)C(C)C)C

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isomeric SMILES

CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C

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found in taxon

Juniperus sabina

1 reference

stated in

Terpenoids from Juniperus sabina

Isodon interruptus

3 references

stated in

Diterpenoids from Rabdosia kunmingensis

stated in

Diterpenoids from Rabdosia kunmingensis

stated in

Diterpenoids from Isodon adenoloma

Illicium majus

1 reference

stated in

Diterpenoids and sesquiterpenoids from the roots of Illicium majus

Juniperus chinensis

1 reference

stated in

Abietanes from leaves of Juniperus chinensis

Salvia tomentosa

1 reference

stated in

Rearranged abietane-type diterpenes from Salvia dichroantha

Salvia officinalis

1 reference

stated in

Rearranged abietane-type diterpenes from Salvia dichroantha

Identifiers

InChI

InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20+/m1/s1

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InChIKey

NFWKVWVWBFBAOV-RLLQIKCJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFWKVWVWBFBAOV-RLLQIKCJSA-N

SureChEMBL ID

SCHEMBL222079

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NFWKVWVWBFBAOV-RLLQIKCJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

NFWKVWVWBFBAOV-RLLQIKCJSA-N

(Q104253220)

(1S,4As,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Statements

Identifiers

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