(Q105330110)

English

(2R)-6-methyl-2-[(5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

chemical compound

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instance of

type of chemical entity

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1 reference

1 reference

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R)-6-methyl-2-[(5R,10R,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-6-methyl-2-[(5S,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

3-Oxotirucalla-8,24-dien-21-oic acid

1 reference

1 reference

(2R)-6-methyl-2-[(5R,10S,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C(O)C(CCC=C(C)C)C1CCC2(C3=C(CCC12C)C4(C)CCC(=O)C(C)(C)C4CC3)C

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isomeric SMILES

CC(C)=CCC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[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/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28-,29-,30+/m1/s1

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InChIKey

XLPAINGDLCDYQV-BEUVFSRLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XLPAINGDLCDYQV-BEUVFSRLSA-N

(Q105330110)

(2R)-6-methyl-2-[(5S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

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