| SpectraBase Spectrum ID |
4ldLsBO5MfJ |
| Name |
5,6-Secocholestane-1,3,6-triol, 3,6-diacetate, (1.beta.,3.alpha.,10.alpha.)- |
| Alternate Name(s) |
(1R,3R,4R)-4-{(1R,3aS,7aR)-4-[2-(acetyloxy)ethyl]-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-3-hydroxy-4-methylcyclohexyl acetate
3.beta.,6-diacetoxy-5.beta.-5,6-secochlestan-5.alpha.-ol |
| CAS Registry Number |
84680-99-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H54O5 |
| InChI |
InChI=1S/C31H54O5/c1-20(2)9-8-10-21(3)26-11-12-27-25(15-18-35-22(4)32)28(14-17-30(26,27)6)31(7)16-13-24(19-29(31)34)36-23(5)33/h20-21,24-29,34H,8-19H2,1-7H3/t21-,24-,25?,26-,27+,28?,29-,30-,31-/m1/s1 |
| InChIKey |
KWXKHUNQGLZMAL-ROODXIFRSA-N |
| Molecular Weight |
506.768 g/mol |
| SMILES |
O[C@]1([C@@](C2CC[C@]3([C@](C2CCOC(=O)C)(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@](OC(=O)C)(C1)[H])C)[H] |
| SPLASH |
splash10-0w2a-0917500000-03a9d98610bcae337a0e |
| Source of Spectrum |
C-105-1978-0 |
| Wiley ID |
1399927 |
