(Q104961518)

English

(E,5S,6S)-5-acetyloxy-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

5-acetyloxy-6-(3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

630.376783308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(E,5S,6R)-5-acetyloxy-6-[(3R,5S,7R,10S,13R,14S,15S,17S)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChIKey

(E,5S,6R)-5-acetyloxy-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

1 reference

based on heuristic

inferred from InChI

(22S)-7alpha-Hydroxy-3beta,15alpha,22-triacetoxy-5alpha-lanosta-8,24-diene-26-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₄O₉

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canonical SMILES

O=C(O)C(=CCC(OC(=O)C)C(C)C1CC(OC(=O)C)C2(C3=C(CCC12C)C4(C)CCC(OC(=O)C)C(C)(C)C4CC3O)C)C

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isomeric SMILES

CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O

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found in taxon

Ganoderma lucidum

1 reference

stated in

Ganoderic acid derivatives and ergosta-4,7,22-triene-3,6-dione from Ganoderma lucidum

Identifiers

InChI

InChI=1S/C36H54O9/c1-19(32(41)42)11-12-27(43-21(3)37)20(2)25-17-30(45-23(5)39)36(10)31-24(13-16-35(25,36)9)34(8)15-14-29(44-22(4)38)33(6,7)28(34)18-26(31)40/h11,20,25-30,40H,12-18H2,1-10H3,(H,41,42)/b19-11+/t20-,25+,26+,27-,28-,29+,30-,34+,35+,36-/m0/s1

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InChIKey

CJPRYGHXZADIKU-QPJGIUAXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104961518)

(E,5S,6S)-5-acetyloxy-6-[(3R,5R,7R,10S,13R,14R,15S,17R)-3,15-diacetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

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