| SpectraBase Spectrum ID |
76ScDi4oR5m |
| Name |
3-Oxacholestan-2-ol, 4,4-dimethyl-, (2.alpha.,5.alpha.)- |
| CAS Registry Number |
115040-94-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H50O2 |
| InChI |
InChI=1S/C28H50O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-11-14-24-26(4,5)30-25(29)17-28(24,7)23(20)15-16-27(21,22)6/h18-25,29H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,25+,27-,28-/m1/s1 |
| InChIKey |
JCCMVJWWRRYPJR-MHTDXFEJSA-N |
| Molecular Weight |
418.706 g/mol |
| SMILES |
O[C@]1(OC([C@]2([C@@]([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])(C1)C)[H])(C)C)[H] |
| SPLASH |
splash10-000l-6009000000-dbe8b3745560f8e28042 |
| Source of Spectrum |
AJ-60-2460-14 |
| Synonyms |
Cyclopenta[5,6]naphtho[2,1-c]pyran, 3-oxacholestan-2-ol deriv.
(3S,4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-1,1,4a,6a-tetramethylhexadecahydrocyclopenta[5,6]naphtho[2,1-c]pyran-3-ol
4,4-Dimethyl-3-oxa-5.alpha.-cholestan-2.alpha.-ol |
| Wiley ID |
1377489 |
