| SpectraBase Spectrum ID |
5NQq0PhvAGF |
| Name |
(2R,3S,5.alpha.,22R,23R,24S)-24-Dodecyl-2,3,22,23-tetrahydroxy-B-homo-26,27-dinor-7-oxacholestane-6-one |
| Alternate Name(s) |
(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R)-2,3-dihydroxy-1,4-dimethylhexadecyl]-8,9-dihydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C37H66O6 |
| InChI |
InChI=1S/C37H66O6/c1-6-7-8-9-10-11-12-13-14-15-16-24(2)33(40)34(41)25(3)27-17-18-28-26-23-43-35(42)30-21-31(38)32(39)22-37(30,5)29(26)19-20-36(27,28)4/h24-34,38-41H,6-23H2,1-5H3/t24?,25-,26-,27+,28-,29-,30+,31-,32+,33+,34+,36+,37+/m0/s1 |
| InChIKey |
NNIDPNAFGQHBKN-WTHGRRPWSA-N |
| Molecular Weight |
606.929 g/mol |
| SMILES |
O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@@]3(COC([C@@]4([C@](C[C@]([C@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])=O)[H])[H])[H])(C)[H])(O)[H])(C(CCCCCCCCCCCC)C)[H] |
| SPLASH |
splash10-03dl-6003940000-6388a766b1f452868ed4 |
| Source of Spectrum |
J-62-1182-12 |
| Wiley ID |
1410630 |
