(Q115972028)

English

[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(3S,7S,8S,9S,10R,13R,14S,16R,17R)-3,7,16-trihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

cucurbitane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

574.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(3R,7S,8S,9S,10R,13R,14S,16R,17R)-3,7,16-trihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₆O₉

0 references

canonical SMILES

O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3C(O)C=C4C(CC(=O)C(O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C

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isomeric SMILES

CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

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found in taxon

Trichosanthes cucumeroides

1 reference

stated in

Lipid-Lowering Activities of Cucurbitacins Isolated from Trichosanthes cucumeroides and Their Synthetic Derivatives

Identifiers

InChI

InChI=1S/C32H46O9/c1-16(33)41-27(2,3)11-10-22(37)32(9,40)25-21(36)14-29(6)24-19(34)12-17-18(13-20(35)26(39)28(17,4)5)31(24,8)23(38)15-30(25,29)7/h10-12,18-19,21,24-26,34,36,39-40H,13-15H2,1-9H3/b11-10+/t18-,19+,21-,24+,25+,26-,29+,30-,31-,32+/m1/s1

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InChIKey

YXLPIHYAUVNQKP-AMUORIPUSA-N

0 references

1 reference

3 January 2023

inferred from InChIKey

(Q115972028)

[(E,6R)-6-hydroxy-2-methyl-5-oxo-6-[(3S,7S,8S,9S,10R,13R,14S,16R,17R)-3,7,16-trihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate

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