(Q105035856)

English

methyl (2R,6S)-6-[(5R,10S,13R,14R,15S,17R)-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-oxoheptanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 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-oxoheptanoate

1 reference

based on heuristic

inferred from SMILES

mass

514.329439192 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-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2R,6R)-6-[(5R,10S,13R,14R,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-oxoheptanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₆

0 references

canonical SMILES

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

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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

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found in taxon

Ganoderma lucidum

1 reference

stated in

Constituents of the fungus Ganoderma lucidum (Fr.) Karst. III Structures of ganolucidic acids A and B, new lanostane-type triterpenoids.

Identifiers

InChI

InChI=1S/C31H46O6/c1-17(13-19(32)14-18(2)27(36)37-8)21-15-25(35)31(7)20-9-10-23-28(3,4)24(34)11-12-29(23,5)26(20)22(33)16-30(21,31)6/h17-18,21,23,25,35H,9-16H2,1-8H3/t17-,18+,21+,23-,25-,29-,30+,31+/m0/s1

0 references

InChIKey

HZSSXIBJQNNCMO-PMVBBLLTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HZSSXIBJQNNCMO-PMVBBLLTSA-N

(Q105035856)

methyl (2R,6S)-6-[(5R,10S,13R,14R,15S,17R)-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-oxoheptanoate

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