(3beta,5alpha,12alpha,13beta)-3-(beta-D-Glucopyranosyloxy)-12,13-dihydro-28-methyl-Veratraman-6(5H)-one
[CAS# 139742-29-3]

Identification

• Name: (3beta,5alpha,12alpha,13beta)-3-(beta-D-Glucopyranosyloxy)-12,13-dihydro-28-methyl-Veratraman-6(5H)-one
• Synonyms: (3S,4As,6As,6Br,9R,10R,10As,11As,11Br)-9-[1-[(2R,5S)-1,5-Dimethyl-2-Piperidyl]Ethyl]-10,11B-Dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,4,4A,6,6A,6B,7,8,9,10,10A,11,11A-Tetradecahydro-1H-Benzo[A]Fluoren-5-One; (3S,4As,6As,6Br,9R,10R,10As,11As,11Br)-9-[1-[(2R,5S)-1,5-Dimethyl-2-Piperidinyl]Ethyl]-10,11B-Dimethyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,4,4A,6,6A,6B,7,8,9,10,10A,11,11A-Tetradecahydro-1H-Benzo[A]Fluoren-5-One; (3S,4As,6As,6Br,9R,10R,10As,11As,11Br)-9-[1-[(2R,5S)-1,5-Dimethyl-2-Piperidyl]Ethyl]-10,11B-Dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,4,4A,6,6A,6B,7,8,9,10,10A,11,11A-Tetradecahydro-1H-Benzo[A]Fluoren-5-One
• Molecular Formula: C₃₄H₅₇NO₇
• Molecular Weight: 591.83
• CAS Registry Number: 139742-29-3
• SMILES: [C@H]2(CC[C@H]1[C@H]3[C@H](C[C@H]1[C@H]2C)[C@@]4([C@@H](C(C3)=O)C[C@H](CC4)O[C@@H]5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)C)C([C@@H]6N(C[C@H](CC6)C)C)C
• InChI: 1S/C34H57NO7/c1-17-6-9-27(35(5)15-17)19(3)21-7-8-22-23(18(21)2)13-25-24(22)14-28(37)26-12-20(10-11-34(25,26)4)41-33-32(40)31(39)30(38)29(16-36)42-33/h17-27,29-33,36,38-40H,6-16H2,1-5H3/t17-,18-,19?,20-,21+,22+,23-,24-,25-,26+,27+,29+,30+,31-,32+,33-,34+/m0/s1
• InChIKey: OAWUSFAEJKJJFY-DYIYZHNTSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 707.203°C at 760 mmHg (Cal.)
• Flash point: 381.503°C (Cal.)