| SpectraBase Spectrum ID |
2YnMBFgQx1Y |
| Name |
4-oxa-A-homocholest-5-en-3.xi.,7.alpha.-diol 7-acetate |
| Alternate Name(s) |
(5aR,5bS,7aR,8R,10aS,10bS,11R)-8-[(1R)-1,5-dimethylhexyl]-3-hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydro-3H-cyclopenta[5,6]naphtho[2,1-c]oxepin-11-yl acetate |
| CAS Registry Number |
113851-41-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O4 |
| InChI |
InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)22-10-11-23-27-24(12-14-29(22,23)6)28(5)15-13-26(31)32-17-21(28)16-25(27)33-20(4)30/h17-19,22-27,31H,7-16H2,1-6H3/t19-,22-,23+,24+,25-,26?,27+,28+,29-/m1/s1 |
| InChIKey |
CYFNLYHODXBVHY-ZWGHBCEXSA-N |
| Molecular Weight |
460.699 g/mol |
| SMILES |
OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@](CC2=CO1)(OC(=O)C)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C |
| SPLASH |
splash10-0006-9000400000-91bfab5500bd4d7c4a1b |
| Source of Spectrum |
AJ-60-1079-8 |
| Wiley ID |
1390629 |
