| SpectraBase Spectrum ID |
LrTJ8J59Mvl |
| Name |
5.alpha.,8.alpha.-epi-Dioxycholesta-6,22-dien-3.beta.-ol |
| Alternate Name(s) |
(1S,6R,10R,13S,15S)-5-[(2E)-1,5-dimethyl-2-hexenyl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0(1,9).0(2,6).0(10,15)]nonadec-18-en-13-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,15-16,18-23,28H,7,9-14,17H2,1-5H3/b8-6+/t19?,20-,21?,22?,23?,24+,25+,26+,27-/m0/s1 |
| InChIKey |
WISOACODKWCRQK-AILADKGUSA-N |
| Molecular Weight |
414.630 g/mol |
| SMILES |
O[C@@]1(C[C@]23C=C[C@@]4(C5[C@](C(C(\C=C\CC(C)C)C)CC5)(C)CCC4[C@]2(CC1)C)OO3)[H] |
| SPLASH |
splash10-001i-0009200000-e379f4d741c3ae58341d |
| Source of Spectrum |
I-78-991-1 |
| Wiley ID |
812872 |
