Feedback

23,24-dihydrocucurbitacin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM3826

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₂H₄₈O₈

charge

mass

560.33492

reference

chebi:62217

InChIKey

QZJJDOYZVRUEDY-NRNCYQGDSA-N

InChI

InChI=1S/C32H48O8/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/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

SMILES

CC(=O)OC(C)(C)CCC(=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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62217 chebi:62217	23,24-dihydrocucurbitacin B (2S,4R)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate 25-acetoxy-2beta,16alpha,20-trihydroxy-10alpha-cucurbit-5-ene-3,11,22-trione 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanost-5-ene-3,11,22-trione, 25-acetate 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanost-5-en-25-yl acetate dihydrocucurbitacin B
seed.compound:cpd31348 seedM:cpd31348 kegg.compound:C20787 keggC:C20787	23,24-Dihydrocucurbitacin B
metacyc.compound:CPD-5205 metacycM:CPD-5205 seed.compound:cpd24565 seedM:cpd24565	23,24-dihydrocucurbitacin B
keggC:M_C20787 seedM:M_cpd24565 seedM:M_cpd31348	secondary/obsolete/fantasy identifier