(Q105228540)

English

(4S)-4-[(5R,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxypentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

530.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₈O₉

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canonical SMILES

O=C(O)CCC(O)(C)C1CC(=O)C2(C=3C(=O)CC4C(C(=O)CCC4(C3C(=O)C(OC(=O)C)C12C)C)(C)C)C

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isomeric SMILES

CC(=O)O[C@@H]1C(=O)C2=C(C(=O)C[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)C(=O)C[C@H]([C@@](C)(O)CCC(=O)O)[C@@]12C

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found in taxon

Ganoderma

1 reference

stated in

Oxygenated lanostane-type triterpenoids from the fungus ganodermalucidum

Identifiers

InChI

InChI=1S/C29H38O9/c1-14(30)38-24-23(36)22-21(15(31)12-16-25(2,3)18(32)8-10-26(16,22)4)29(7)19(33)13-17(28(24,29)6)27(5,37)11-9-20(34)35/h16-17,24,37H,8-13H2,1-7H3,(H,34,35)/t16-,17+,24+,26-,27-,28-,29-/m0/s1

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InChIKey

QVBJFSJKFHBAPS-KYRIWECLSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105228540)

(4S)-4-[(5R,10S,12S,13R,14R,17S)-12-acetyloxy-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-hydroxypentanoic acid

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Identifiers

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