(Q105126765)

English

(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-17-[(2R,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

chemical compound

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1 reference

3-hydroxy-17-(3-hydroxy-6-methylhept-5-en-2-yl)-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

472.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2R,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C(O)C1(C)C(O)CCC2(C3=C(CCC21)C4(C)CCC(C(C)C(O)CC=C(C)C)C4(C)CC3)C

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isomeric SMILES

CC(C)=CC[C@@H](O)[C@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CC3

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found in taxon

Fomes senex

1 reference

stated in

Crystalline chemical components of Fomes senex and structure of senexdiolic acid and related compounds

Fuscoporia senex

1 reference

stated in

Crystalline chemical components of Fomes senex and structure of senexdiolic acid and related compounds

Identifiers

InChI

InChI=1S/C30H48O4/c1-18(2)8-10-23(31)19(3)20-12-16-29(6)22-9-11-24-27(4,21(22)13-17-28(20,29)5)15-14-25(32)30(24,7)26(33)34/h8,19-20,23-25,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,23-,24+,25+,27-,28-,29+,30+/m1/s1

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InChIKey

JFMVGBGLSLRDCH-ZZDSNXJWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFMVGBGLSLRDCH-ZZDSNXJWSA-N

(Q105126765)

(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-17-[(2R,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,10,13,14-tetramethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid

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