(Q104921611)

English

methyl (2R,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-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-oxoheptanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

544.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,6S)-6-[(3S,5S,10S,12S,13R,14R,17R)-3,12-dihydroxy-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-oxoheptanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₄O₈

0 references

canonical SMILES

O=C1C2=C(C(=O)C(O)C3(C)C(CC(=O)C23C)C(C)CC(=O)CC(C(=O)OC)C)C4(C)CCC(O)C(C)(C)C4C1

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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]1CC3=O

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found in taxon

Ganoderma lucidum

1 reference

stated in

Constituents of the fungus Ganoderma lucidum (Fr.) Karst. I Structures of ganoderic acids C2, E, I, and K, lucidenic acid F and related compounds.

Identifiers

InChI

InChI=1S/C31H44O8/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/h15-16,18,20-21,26,34,37H,9-14H2,1-8H3/t15-,16-,18-,20+,21+,26-,29+,30+,31+/m1/s1

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InChIKey

AZCYOYBNOUOOJJ-ICOUBGQFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZCYOYBNOUOOJJ-ICOUBGQFSA-N

1 reference

(Q104921611)

methyl (2R,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-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-oxoheptanoate

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Identifiers

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