(Q105375054)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

336.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₂O₄

0 references

canonical SMILES

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

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isomeric SMILES

CC(C)[C@@]1(O)CC[C@H]2[C@H](C1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C

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found in taxon

Pinus sibirica

1 reference

stated in

Chemical composition of the bark ofPinus sibirica

Identifiers

InChI

InChI=1S/C20H32O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h12-14,16,24H,5-11H2,1-4H3,(H,22,23)/t13-,14-,16+,18+,19-,20+/m0/s1

0 references

InChIKey

ZGBSZOWVGHOHGO-KQEADHDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZGBSZOWVGHOHGO-KQEADHDNSA-N

(Q105375054)

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

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Identifiers

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