(Q105158487)

English

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

chemical compound

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type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

516.308703748 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₇

0 references

canonical SMILES

O=C(O)C(C)CC(=O)CC(C)C1CC(=O)C2(C3=C(C(=O)CC12C)C4(C)CCC(O)C(C)(C)C4CC3O)C

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isomeric SMILES

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

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found in taxon

Ganoderma lucidum

2 references

stated in

Structures of new terpenoid constituents of Ganoderma lucidum (Fr.) KARST (Polyporaceae).

stated in

Structures of Ganoderic Acid A and B, Two New Lanostane Type Bitter Triterpenes fromGanoderma lucidum (FR.) KARST.

Identifiers

InChI

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18+,19-,21-,22-,28-,29+,30-/m0/s1

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InChIKey

LWPLEHFGBRFRKI-TWZAYKDTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LWPLEHFGBRFRKI-TWZAYKDTSA-N

(Q105158487)

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

Statements

Identifiers

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