(Q115947093)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cucurbitane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

558.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-Epi-Isocucurbitacin B

1 reference

based on heuristic

inferred from InChIKey

Isocucurbitacin B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₆O₈

0 references

canonical SMILES

O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=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=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

0 references

found in taxon

Cucurbita

1 reference

stated in

Foetidissimoside A, a new 3,28-bidesmosidic triterpenoid saponin, and cucurbitacins from Cucurbita foetidissima

Identifiers

InChI

InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19,21-22,25-26,35,38-39H,11,14-16H2,1-9H3/t19-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1

0 references

InChIKey

WTBZNVRBNJWSPF-SGBQOXNVSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

WTBZNVRBNJWSPF-SGBQOXNVSA-N

1 reference

(Q115947093)

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

Statements

Identifiers

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