| SpectraBase Spectrum ID |
2ZiRW2Y2y88 |
| Name |
Cholesta-5,25-diene-3.alpha.,4.beta.,21-triol - 4-Acetate |
| Alternate Name(s) |
(3alpha,4beta)-3,21-dihydroxycholesta-5,25(27)-dien-4-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O4 |
| InChI |
InChI=1S/C29H46O4/c1-18(2)7-6-8-20(17-30)22-11-12-23-21-9-10-25-27(33-19(3)31)26(32)14-16-29(25,5)24(21)13-15-28(22,23)4/h10,20-24,26-27,30,32H,1,6-9,11-17H2,2-5H3/t20-,21-,22+,23-,24-,26+,27+,28+,29+/m0/s1 |
| InChIKey |
WIXZTARWIUQDKR-AXUGDCIZSA-N |
| Molecular Weight |
458.683 g/mol |
| SMILES |
OC[C@@]([C@]1(CC[C@@]2([C@@]1(CC[C@@]1([C@@]3(C([C@]([C@@](CC3)(O)[H])(OC(=O)C)[H])=CC[C@@]21[H])C)[H])C)[H])[H])(CCCC(=C)C)[H] |
| SPLASH |
splash10-0002-0049100000-59720fa56f35df09eff9 |
| Source of Spectrum |
X2-57-1636-1 |
| Wiley ID |
1605738 |
