| SpectraBase Spectrum ID |
3rR3AX9XEsw |
| Name |
3-Oxacholestan-2-one, 4,4-dimethyl-, (5.alpha.)- |
| CAS Registry Number |
115040-93-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H48O2 |
| InChI |
InChI=1S/C28H48O2/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/h18-24H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,27-,28-/m1/s1 |
| InChIKey |
YIFSZWFGQMODBX-HQTCWPRFSA-N |
| Molecular Weight |
416.690 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C(C)(C)OC(C1)=O)[H])[H])C |
| SPLASH |
splash10-014i-0009000000-540cc8aa401896405d2f |
| Source of Spectrum |
AJ-60-2460-13 |
| Synonyms |
Cyclopenta[5,6]naphtho[2,1-c]pyran, 3-oxacholestan-2-one deriv.
(4aR,4bS,6aR,7R,9aS,9bS,11aR)-7-[(1R)-1,5-dimethylhexyl]-1,1,4a,6a-tetramethyltetradecahydrocyclopenta[5,6]naphtho[2,1-c]pyran-3(1H)-one
4,4-Dimethyl-3-oxa-5.alpha.-cholestan-2-one |
| Wiley ID |
1376682 |
