| SpectraBase Spectrum ID |
LNz8WGDhu0I |
| Name |
5,6-Secocholestan-1-one, 3-(acetyloxy)-6,6-dimethoxy-, (3.alpha.,10.alpha.)- |
| CAS Registry Number |
105395-42-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H54O5 |
| InChI |
InChI=1S/C31H54O5/c1-20(2)10-9-11-21(3)25-12-13-26-24(19-29(34-7)35-8)27(15-17-30(25,26)5)31(6)16-14-23(18-28(31)33)36-22(4)32/h20-21,23-27,29H,9-19H2,1-8H3/t21-,23-,24?,25-,26+,27?,30-,31-/m1/s1 |
| InChIKey |
HXPDWCQVZIWRMJ-AGVZSJATSA-N |
| Molecular Weight |
506.768 g/mol |
| SMILES |
[C@]12([C@](C(CC(OC)OC)C([C@@]3(C(C[C@@](CC3)(OC(=O)C)[H])=O)C)CC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-004i-9000000000-38ce749d6d61967399e1 |
| Source of Spectrum |
I-66-1216-23 |
| Synonyms |
(1R,4R)-4-{(1R,3aS,7aR)-4-(2,2-dimethoxyethyl)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-4-methyl-3-oxocyclohexyl acetate
3.beta.-acetoxy-6,6-dimethoxy-5,6-seco-cholestan-5-one |
| Wiley ID |
1399928 |
