(Q105362345)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

mass

514.293053684 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₃₀H₄₂O₇

0 references

canonical SMILES

O=C1C2=C(C(O)CC3C(C(=O)CCC23C)(C)C)C4(C(=O)CC(C(C)CC(=O)CC(C(=O)O)C)C4(C)C1)C

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isomeric SMILES

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

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found in taxon

Ganoderma lucidum

1 reference

stated in

The biologically active constituents of Ganoderma lucidum (Fr.) Karst. Histamine release-inhibitory triterpenes

Identifiers

InChI

InChI=1S/C30H42O7/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/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21-,28+,29-,30+/m1/s1

0 references

InChIKey

YTVGSCZIHGRVAV-RNHMAOHMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTVGSCZIHGRVAV-RNHMAOHMSA-N

1 reference

(Q105362345)

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

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