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Chemical structure of Bryodulcosigenin

GC35560

Bryodulcosigenin

Also known as (3S,8S,9R,10R,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Bryodulcosigenin is an extract of the roots of Bryoniadioica with anti-inflammatory effect

ChemicalCAS4965-97-3MW474.72FormulaC30H50O4
CAS number
4965-97-3
Molecular weight
474.72
Formula
C30H50O4
Solubility
DMSO ： 100 mg/mL (210·65 mM; Need ultrasonic)
InChIKey
FPMQKXQOBKDVHF-ZGUWQJCPSA-N
Catalogue number
GC35560
Brand
GLPBIO
Computed properties PubChem CID 441813 · XLogP 5.1 · TPSA 77.8 Ų · H-bond donors 3
XLogP
5.1
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34

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

Computed descriptors from PubChem (CID 441813), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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