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Chemical structure of Cucurbitacin R

GC76267

Cucurbitacin R

Also known as (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(2R)-2,6-dihydroxy-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

Cucurbitacin R is a cucurbitacin

ChemicalCAS55903-92-9MW518.68FormulaC30H46O7
CAS number
55903-92-9
Molecular weight
518.68
Formula
C30H46O7
Solubility
DMSO： 10 mg/mL (19·28 mM; Need ultrasonic and warming)
InChIKey
ITMUUFDDBRYVNJ-VOKXYEOFSA-N
Catalogue number
GC76267
Brand
GLPBIO
Computed properties PubChem CID 180535 · XLogP 2.1 · TPSA 132 Ų · H-bond donors 4
XLogP
2.1
TPSA
132 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
37

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

Computed descriptors from PubChem (CID 180535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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