| SpectraBase Spectrum ID |
JF4wy2iW4Fl |
| Name |
2.alpha.,3.alpha.,22.beta.,23.beta.-Tetrahydroxy-24.beta.-methyl-B-homo-7-oxa-5.alpha.-cholestan-6-one |
| Alternate Name(s) |
(1R,3aS,3bS,6aS,8S,9R,10aR,12aS)-1-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]-8,9-dihydroxy-10a,12a-dimethylhexadecahydro-6H-indeno[4,5-d][2]benzoxepin-6-one |
| CAS Registry Number |
72075-01-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H48O6 |
| InChI |
InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20?,21+,22-,23+,24+,25+,27+,28+/m0/s1 |
| InChIKey |
IXVMHGVQKLDRKH-CQYKCBRQSA-N |
| Molecular Weight |
480.686 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])(C3CC[C@]12C)C)[H])=O)[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(C)[H])[H] |
| SPLASH |
splash10-007o-9304000000-aa22921ad562500b51c6 |
| Source of Spectrum |
J-44-5002-0 |
| Wiley ID |
1395255 |
