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Home > Product > Heterocyclic Organic Compounds > [(3S,5S,10R,13R,14S,17R)-5,14-Dihydroxy-10-(hydroxymethyl)-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

[(3S,5S,10R,13R,14S,17R)-5,14-Dihydroxy-10-(hydroxymethyl)-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 Number: 100991-83-1

Catalog Number
ACM100991831
Product Name
[(3S,5S,10R,13R,14S,17R)-5,14-Dihydroxy-10-(hydroxymethyl)-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
Structure
CAS Number
100991-83-1
IUPAC Name
[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-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
Synonyms
Hellebrigeninmonoacetat, Hellebrigenol-3-monoacetate, Hellebrigeninmonoacetat [German], BRN 0062469, CID58136, LS-45304, 4-18-00-03150 (Beilstein Handbook Reference), 3-beta,5,14,19-Tetrahydroxy-5-beta-bufa-20,22-dienolide 3-acetate, 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,5,14,19-TETRAHYDROXY-, 3-ACETATE, 100991-83-1
Molecular Weight
460.56 g/mol
Exact Mass
460.24600
Molecular Formula
C26H36O7
Boiling Point
628.1ºC at 760mmHg
Flash Point
208.9ºC
Density
1.31g/cm3
Purity
96%
SMILES
CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=COC(=O)C=C5)C)CO
InChIKey
GBSYMBLHPNJBLH-PTGWYJJLSA-N
H-Bond Donor
3
H-Bond Acceptor
7
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