(Q105222497)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

1 reference

546.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₆O₈

0 references

canonical SMILES

O=C(OC)C(C)CC(=O)CC(C)C1CC(=O)C2(C3=C(C(=O)C(O)C12C)C4(C)CCC(O)C(C)(C)C4CC3O)C

0 references

isomeric SMILES

COC(=O)[C@H](C)CC(=O)C[C@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]3O

0 references

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/C31H46O8/c1-15(11-17(32)12-16(2)27(38)39-8)18-13-22(35)31(7)23-19(33)14-20-28(3,4)21(34)9-10-29(20,5)24(23)25(36)26(37)30(18,31)6/h15-16,18-21,26,33-34,37H,9-14H2,1-8H3/t15-,16+,18+,19-,20+,21-,26+,29-,30-,31-/m0/s1

0 references

InChIKey

QIZQYDGATDXOSJ-KTWGUNFUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QIZQYDGATDXOSJ-KTWGUNFUSA-N

(Q105222497)

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

Statements

Identifiers

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