| SpectraBase Spectrum ID |
6PpqpwYV8br |
| Name |
3.beta.,20.beta.-Diacetoxy-19-(formyloxy)-6-oxa-5.alpha.-pregnane |
| Alternate Name(s) |
(1S)-1-{(1S,3aS,3bS,5aS,7S,9aR,9bS,11aS)-7-(acetyloxy)-9a-[(formyloxy)methyl]-11a-methylhexadecahydroindeno[4,5-c]chromen-1-yl}ethyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O7 |
| InChI |
InChI=1S/C25H38O7/c1-15(31-16(2)27)20-5-6-21-19-12-30-23-11-18(32-17(3)28)7-10-25(23,13-29-14-26)22(19)8-9-24(20,21)4/h14-15,18-23H,5-13H2,1-4H3/t15-,18-,19-,20+,21-,22-,23-,24+,25-/m0/s1 |
| InChIKey |
BOSLIIQCYGVYMF-HTUFCBSQSA-N |
| Molecular Weight |
450.572 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](OC(=O)C)(C)[H])[H])[H])([H])CO[C@]2(C[C@@](OC(=O)C)(CC1)[H])[H])[H])COC=O |
| SPLASH |
splash10-000x-0009000000-f2aa74ecb4e76a8a6434 |
| Source of Spectrum |
J-61-6676-6 |
| Wiley ID |
1387720 |
