(Q105226932)

English

(1S,4aR,4bS,8aS,10aR)-1-(hydroxymethyl)-4a-methyl-9-oxo-7-propan-2-yl-3,4,4b,5,6,8a,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1-(hydroxymethyl)-4a-methyl-9-oxo-7-propan-2-yl-3,4,4b,5,6,8a,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

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

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isomeric SMILES

CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1

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found in taxon

Pinus sibirica

1 reference

stated in

Chemical composition of the bark ofPinus sibirica

Identifiers

InChI

InChI=1S/C20H30O4/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)7-4-8-20(17,11-21)18(23)24/h9,12,14-15,17,21H,4-8,10-11H2,1-3H3,(H,23,24)/t14-,15-,17+,19+,20+/m0/s1

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InChIKey

QSFLWQIGANLWJS-JGKKSEDXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QSFLWQIGANLWJS-JGKKSEDXSA-N

(Q105226932)

(1S,4aR,4bS,8aS,10aR)-1-(hydroxymethyl)-4a-methyl-9-oxo-7-propan-2-yl-3,4,4b,5,6,8a,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid

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Identifiers

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