Hellebrigenin-3-acetate

Name: Hellebrigenin-3-acetate
Brand: CoreyChem
SKU: CAS:4064-09-9
Price: Contact for pricing USD
Availability: InStock

[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Also Known As: Hellebrigenin 3-acetate, HELLEBRIGENIN-3-ACETATE, BRN 0065090, 4-18-00-03180 (Beilstein Handbook Reference), 19-Oxo-3-beta,5,14-trihydroxy-5-beta-bufa-20,22-dienolide-3-acetate, 5beta-Bufa-20,22-dienolide, 3beta,5,14-trihydroxy-19-oxo-, 3-acetate, 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14-TRIHYDROXY-19-OXO-, 3-ACETATE, Bufa-20,22-dienolide, 3-(acetyloxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-, [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

CAS: 4064-09-9

Molecular Formula	`C26H34O7`
Molecular Weight	458.23044 g/mol
LogP	3.11
Topological Polar Surface Area	114.04 Å²
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	458.23044
Heavy Atoms	33
Complexity	997

Chemical Identifiers

CAS Number	4064-09-9
SMILES	`CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)C=O`

Product Overview

Hellebrigenin-3-acetate (CAS 4064-09-9), with molecular formula C26H34O7 and molecular weight 458.23044 g/mol. IUPAC: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.

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