(3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-Tetrahydroxy-17-[(1S)-1-[(2R,4S)-6-Hydroxy-4-Propan-2-Yloxan-2-Yl]Ethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[a]Phenanthren-15-One
[CAS# 137571-30-3]

Identification

• Name: (3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-Tetrahydroxy-17-[(1S)-1-[(2R,4S)-6-Hydroxy-4-Propan-2-Yloxan-2-Yl]Ethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[a]Phenanthren-15-One
• Synonyms: (3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-Tetrahydroxy-17-[(1S)-1-[(2R,4S)-6-Hydroxy-4-Isopropyl-Tetrahydropyran-2-Yl]Ethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[A]Phenanthren-15-One; (3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-Tetrahydroxy-17-[(1S)-1-[(2R,4S)-6-Hydroxy-4-Isopropyl-2-Tetrahydropyranyl]Ethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[A]Phenanthren-15-One; (3R,4R,5R,6R,7R,8R,9S,10R,13R,14R,17R)-3,4,6,7-Tetrahydroxy-17-[(1S)-1-[(2R,4S)-6-Hydroxy-4-Propan-2-Yl-Oxan-2-Yl]Ethyl]-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-Tetradecahydrocyclopenta[A]Phenanthren-15-One
• Molecular Formula: C₂₉H₄₈O₇
• Molecular Weight: 508.69
• CAS Registry Number: 137571-30-3
• SMILES: [C@H]1(CC[C@]4([C@H]([C@H]1O)[C@H]([C@@H]([C@H]5[C@H]3C(C[C@H]([C@@H]([C@H]2C[C@@H](CC(O)O2)C(C)C)C)[C@@]3(C)CC[C@H]45)=O)O)O)C)O
• InChI: 1S/C29H48O7/c1-13(2)15-10-20(36-21(32)11-15)14(3)17-12-19(31)23-22-16(6-8-29(17,23)5)28(4)9-7-18(30)25(33)24(28)27(35)26(22)34/h13-18,20-27,30,32-35H,6-12H2,1-5H3/t14-,15-,16-,17+,18+,20+,21?,22+,23+,24+,25-,26+,27+,28+,29+/m0/s1
• InChIKey: IRHVLQMEQPABHG-QUZWXNHXSA-N

Properties

• Density: 1.231g/cm³ (Cal.)
• Boiling point: 646.259°C at 760 mmHg (Cal.)
• Flash point: 205.412°C (Cal.)