| SpectraBase Spectrum ID |
2GeYX0986nX |
| Name |
Cholesta-5,7-diene-3,24,25-triol, 3,24-diacetate, (3.beta.,24R)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
500.350174641 u |
| Formula |
C31H48O5 |
| InChI |
InChI=1S/C31H48O5/c1-19(8-13-28(29(4,5)34)36-21(3)33)25-11-12-26-24-10-9-22-18-23(35-20(2)32)14-16-30(22,6)27(24)15-17-31(25,26)7/h9-10,19,23,25-28,34H,8,11-18H2,1-7H3/t19-,23+,25-,26+,27+,28-,30+,31-/m1/s1 |
| InChIKey |
VDOKGXWGSWLRFK-NXVKIJKBSA-N |
| Molecular Weight |
500.720 g/mol |
| SMILES |
C=12[C@]3([C@]([C@@]([C@@](CC[C@@](OC(=O)C)(C(O)(C)C)[H])(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(CC2=CC1)[H])C)[H])[H] |
