| SpectraBase Spectrum ID |
DXywumD11wJ |
| Name |
(23S,25R)-1.alpha.,3.beta.,25-Trihydroxy-5,7-cholestadiene 26,23-Lactone |
| Alternate Name(s) |
(3R,5S)-5-[(2R)-2-[(1S,2R,3S,5R,11R,14R,15R)-3,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]propyl]-3-hydroxy-3-methyloxolan-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O5 |
| InChI |
InChI=1S/C27H40O5/c1-15(11-18-14-26(3,31)24(30)32-18)20-7-8-21-19-6-5-16-12-17(28)13-23(29)27(16,4)22(19)9-10-25(20,21)2/h5-6,15,17-18,20-23,28-29,31H,7-14H2,1-4H3/t15-,17-,18+,20-,21+,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey |
MCRQIJOYWQGGPM-HJGRXNAHSA-N |
| Molecular Weight |
444.612 g/mol |
| SMILES |
O[C@]1(C[C@@]([C@@]2([C@@]3(C([C@]4([C@@]([C@@]([C@@](C[C@]5(C[C@](C(O5)=O)(O)C)[H])(C)[H])(CC4)[H])(CC3)C)[H])=CC=C2C1)[H])C)(O)[H])[H] |
| SPLASH |
splash10-0a4i-6920600000-5aac49d53b9a9ba7ef85 |
| Source of Spectrum |
J-57-39-21 |
| Wiley ID |
1386113 |
