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5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-3,4-Dihydropyran-2-One
[CAS# 123623-38-1]

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CAS#: 123623-38-1
Product: 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-3,4-Dihydropyran-2-One
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Identification
Name 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-3,4-Dihydropyran-2-One
Synonyms 22,23-Dihydrobufalin; Buf-20-Enolide, 3,14-Dihydroxy-, (3Beta,5Beta)-
Molecular Structure CAS#: 123623-38-1, 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-3,4-Dihydropyran-2-One
Molecular Formula C24H36O4
Molecular Weight 388.55
CAS Registry Number 123623-38-1
SMILES [C@]23([C@@]([C@@H](C1=COC(CC1)=O)CC2)(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI 1S/C24H36O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h14,16-20,25,27H,3-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1
InChIKey LESMUPYSKQPXRH-BMPKRDENSA-N
Properties
Density 1.207g/cm3 (Cal.)
Boiling point 545.844°C at 760 mmHg (Cal.)
Flash point 183.798°C (Cal.)
Market Analysis Reports
List of Reports Available for 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-3,4-Dihydropyran-2-One
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