| SpectraBase Spectrum ID |
9UqPiD4S5TA |
| Name |
3.beta.,5-Bis(hydroxymethyl)-A,B-dinor-5.beta.-cholestane |
| Alternate Name(s) |
3.beta.,5-Bis(hydroxymethyl)-A,B-bisnor-5.beta.-cholestane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H48O2 |
| InChI |
InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-15-27(17-29)20(16-28)11-14-26(27,5)24(21)12-13-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20-,21?,22-,23+,24?,25-,26-,27+/m1/s1 |
| InChIKey |
PXUCZUGEGMKQQZ-OSXBAZJQSA-N |
| Molecular Weight |
404.679 g/mol |
| SMILES |
OC[C@]1(CC[C@]2([C@]1(CO)CC1C2CC[C@@]2([C@](CC[C@@]12[H])([C@@](CCCC(C)C)(C)[H])[H])C)C)[H] |
| SPLASH |
splash10-000i-0009000000-d12e02849cfc39aa618d |
| Source of Spectrum |
J-64-115-28 |
| Wiley ID |
1529182 |
