| SpectraBase Spectrum ID |
4FKg0fIn1Vu |
| Name |
4-Oxa-A-homocholest-5-en-3.xi.,7.alpha.-diol diacetate |
| Alternate Name(s) |
(5aR,5bS,7aR,8R,10aS,10bS,11R)-11-(acetyloxy)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3-yl acetate |
| CAS Registry Number |
113680-62-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H50O5 |
| InChI |
InChI=1S/C31H50O5/c1-19(2)9-8-10-20(3)24-11-12-25-29-26(13-15-31(24,25)7)30(6)16-14-28(36-22(5)33)34-18-23(30)17-27(29)35-21(4)32/h18-20,24-29H,8-17H2,1-7H3/t20-,24-,25+,26+,27-,28?,29+,30+,31-/m1/s1 |
| InChIKey |
CTWUZRMJBKNQTK-JHXBGXQESA-N |
| Molecular Weight |
502.736 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@@](CC=4[C@@]([C@]3(CC2)[H])(CCC(OC(=O)C)OC4)C)(OC(=O)C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0006-9000400000-8b3bba13066ef5a6788d |
| Source of Spectrum |
AJ-60-1079-6 |
| Wiley ID |
1399308 |
