| SpectraBase Spectrum ID |
6D2O3Q4cBTI |
| Name |
(3S,5R,6R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| Alternate Name(s) |
Cerevisterol
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol
5.alpha.-Ergosta-7,22-diene-3.beta.,5,6.beta.-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1 |
| InChIKey |
ARXHRTZAVQOQEU-BRVLHLJYSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@@]1(C=C2[C@@]([C@]3(CC[C@@](C[C@]13O)(O)[H])C)(CC[C@@]1([C@](CC[C@@]21[H])([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-004i-0096100000-e6836ffbf7a7b4f13129 |
| Source of Spectrum |
X2-50-919-5 |
| Wiley ID |
1602464 |
