(Q105340862)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(6S)-6-[(1S,3aS,9aR,11aS)-3-hydroxy-3a,6,6,9a,11a-pentamethyl-7,10-dioxo-1H,2H,3H,4H,5H,5aH,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-2-methyl-4-oxoheptanoic acid

1 reference

based on heuristic

inferred from SMILES

6-(15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid

1 reference

1 reference

500.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

15-Hydroxy-3,11,23-trioxolanost-8-en-26-oic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₆

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canonical SMILES

O=C1C2=C(CCC3C(C(=O)CCC23C)(C)C)C4(C)C(O)CC(C(C)CC(=O)CC(C(=O)O)C)C4(C)C1

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isomeric SMILES

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

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found in taxon

Ganoderma lucidum

1 reference

stated in

Ganoderic acid G and I and ganolucidic acid A and B, new triterpenoids from Ganoderma lucidum.

Identifiers

InChI

InChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17-,20+,22-,24+,28+,29-,30+/m1/s1

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InChIKey

XRXBNTYHQXKSAO-BPCOHUPZSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XRXBNTYHQXKSAO-BPCOHUPZSA-N

1 reference

(Q105340862)

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

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