(Q105346579)

English

(2R,6R)-6-[(3S,5S,10S,12S,13R,14S,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6-[(10S,13R,14R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

1 reference

572.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from InChI

(2r,6s)-6-[(3s,5r,10s,12s,13r,14r,17r)-12-Acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxo-heptanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₉

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canonical SMILES

O=C(OC1C(=O)C2=C(C(=O)CC3C2(C)CCC(O)C3(C)C)C4(C(=O)CC(C(C)CC(=O)CC(C(=O)O)C)C14C)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@@H](O)CC[C@]23C)[C@@]2(C)C(=O)C[C@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)O)[C@@]12C

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found in taxon

Ganoderma lucidum

1 reference

stated in

Ganoderic acid D, E, F, and H and lucidenic acid D, E, and F, new triterpenoids from Ganoderma lucidum.

Identifiers

InChI

InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)/t15-,16-,19-,21-,22+,27-,30+,31+,32-/m1/s1

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InChIKey

YCXUCEXEMJPDRZ-NMLPFVMGSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105346579)

(2R,6R)-6-[(3S,5S,10S,12S,13R,14S,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid

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Identifiers

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