(Q115971144)

English

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,5S)-2,6-dihydroxy-5-methoxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

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

548.334918496 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,5R)-2,6-dihydroxy-5-methoxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₄₈O₈

0 references

canonical SMILES

O=C(CC(OC)C(O)(C)C)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C(=O)CC12C)C

0 references

isomeric SMILES

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

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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/C31H48O8/c1-26(2)16-10-11-20-28(5)14-19(33)24(31(8,38)21(34)13-23(39-9)27(3,4)37)29(28,6)15-22(35)30(20,7)17(16)12-18(32)25(26)36/h10,17-20,23-24,32-33,37-38H,11-15H2,1-9H3/t17-,18+,19-,20+,23+,24+,28+,29-,30+,31+/m1/s1

0 references

InChIKey

NRPGDWNQCNAPIH-QQXPOAMXSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

NRPGDWNQCNAPIH-QQXPOAMXSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

25 March 2023

InChIKey

NRPGDWNQCNAPIH-QQXPOAMXSA-N

based on heuristic

InChIKey match

(Q115971144)

(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R,5S)-2,6-dihydroxy-5-methoxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

Statements

Identifiers

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