(Q105229212)

English

(1S,4aR,4bS,8aS,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9-Hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

320.235144884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C3CCC(=CC3C(O)CC12)C(C)C

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isomeric SMILES

CC(C)C1=C[C@H]2[C@H](CC1)[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1C[C@H]2O

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found in taxon

Pinus sibirica

1 reference

stated in

Chemical composition of the bark ofPinus sibirica

Identifiers

InChI

InChI=1S/C20H32O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h10,12,14-17,21H,5-9,11H2,1-4H3,(H,22,23)/t14-,15-,16+,17+,19+,20-/m0/s1

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InChIKey

QWIXXDJUHXOKPB-HOQSQFABSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWIXXDJUHXOKPB-HOQSQFABSA-N

(Q105229212)

(1S,4aR,4bS,8aS,9R,10aR)-9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylic acid

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Identifiers

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