23,24-dihydrocucurbitacin D (CHEBI:62218)

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CHEBI:62218 - 23,24-dihydrocucurbitacin D

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ChEBI ID	CHEBI:62218
ChEBI Name	23,24-dihydrocucurbitacin D
Stars
Definition	A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5.
Last Modified	6 February 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C30H46O7
Net Charge	0
Average Mass	518.691
Monoisotopic Mass	518.32435
SMILES	[H][C@@]12CC=C3C(C)(C)C(=O)[C@@H](O)C[C@@]3([H])[C@]1(C)C(=O)C[C@@]1(C)[C@@]2(C)C[C@@H](O)[C@]1([H])[C@@](C)(O)C(=O)CCC(C)(C)O
InChI	InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChIKey	ITMUUFDDBRYVNJ-VOKXYEOFSA-N

Roles Classification

Biological Role:

allelochemical A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.

ChEBI Ontology

Outgoing Relation(s)
	23,24-dihydrocucurbitacin D (CHEBI:62218) is a 23,24-dihydrocucurbitacin (CHEBI:17320)
	23,24-dihydrocucurbitacin D (CHEBI:62218) is a secondary α-hydroxy ketone (CHEBI:2468)
	23,24-dihydrocucurbitacin D (CHEBI:62218) is a tertiary α-hydroxy ketone (CHEBI:139592)

IUPAC Name
(2S,4R)-2,16,20,25-tetrahydroxy-9β,10,14-trimethyl-4,9-cyclo-9,10-seco-16α-cholest-5-ene-1,11,22-trione

Synonyms	Source
2β,16α,20,25- tetrahydroxy-9β-methyl-19-nor-10α-lanost-5-ene-3,11,22-trione	ChEBI
2β,16α,20,25-tetrahydroxy-10α-cucurbit-5-ene-3,11,22-trione	ChEBI

Registry Numbers	Sources
Reaxys:2513994	Reaxys