(Q104963893)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

528.308703748 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₁H₄₄O₇

0 references

canonical SMILES

O=C1C2=C(C(=O)CC3(C)C(CC(O)C23C)C(C)CC(=O)CC(C(=O)OC)C)C4(C)CCC(=O)C(C)(C)C4C1

0 references

isomeric SMILES

COC(=O)[C@@H](C)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=O

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found in taxon

Ganoderma lucidum

1 reference

stated in

Constituents of the fungus Ganoderma lucidum (Fr.) Karst. II Structures of ganoderic acids F, G, and H, lucidenic acids D2 and E2, and related compounds.

Identifiers

InChI

InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19,22,24,36H,9-15H2,1-8H3/t16-,17+,19-,22+,24+,29+,30-,31+/m1/s1

0 references

InChIKey

CLSQDKKKSJPJCC-SIDCTSIPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104963893)

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

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