| SpectraBase Spectrum ID |
Bxyn5tjCpQx |
| Name |
5,6-Secocholestane-1,3-diol, 6-(1,1-dimethylethoxy)-1,6-epidioxy-, (3.alpha.,10.alpha.)- |
| CAS Registry Number |
84681-03-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H56O5 |
| InChI |
InChI=1S/C31H56O5/c1-20(2)10-9-11-21(3)24-12-13-25-23-18-27(34-28(4,5)6)35-36-31(33)19-22(32)14-17-30(31,8)26(23)15-16-29(24,25)7/h20-27,32-33H,9-19H2,1-8H3/t21-,22-,23+,24-,25+,26+,27?,29-,30+,31?/m1/s1 |
| InChIKey |
AAHVRIVFMYUWEK-ARZUXTAJSA-N |
| Molecular Weight |
508.784 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2(C(OOC(C[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])OC(C)(C)C)(C1)O)C)[H] |
| SPLASH |
splash10-052o-1920200000-af50fe8ca7c44eb7da7c |
| Source of Spectrum |
C-105-1978-0 |
| Synonyms |
(1R,3aS,3bS,9R,11aS,11bS,13aR)-5-tert-butoxy-1-[(1R)-1,5-dimethylhexyl]-11a,13a-dimethylhexadecahydro-7aH-indeno[4,5-e][1,2]benzodioxocin-7a,9-diol
1H-benz[c]indeno[5,4-e][1,2]dioxocin, 5,6-secocholestane-1,3-diol deriv.
3.beta.-acetoxy-5.zeta.,6.zeta.-epidioxy-6.zeta.-methoxy-5,6-secocholestan-5.zeta.-ol
5.zeta.,6.zeta.-epidioxy-6.zeta.-tert-butoxy-5,6-secocholestane-3.beta.,5.zeta.diol |
| Wiley ID |
1400228 |
