| SpectraBase Spectrum ID |
3E7INgGyxXF |
| Name |
2.alpha.,3.alpha.-Ethano-3.beta.-methylcholestan-2a-one |
| Alternate Name(s) |
(2S,3S,6R,7R,10S,11S,16S)-7-[(1R)-1,5-dimethylhexyl]-2,6,16-trimethylpentacyclo[14.2.1.0(2,14).0(3,11).0(6,10)]nonadecan-19-one |
| CAS Registry Number |
69309-31-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O |
| InChI |
InChI=1S/C30H50O/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-28(4)16-14-26(27(28)31)30(21,6)25(22)15-17-29(23,24)5/h19-26H,7-18H2,1-6H3/t20-,21?,22+,23-,24+,25+,26+,28+,29-,30+/m1/s1 |
| InChIKey |
PMNOSGGNTXVZAZ-BAKAXQPJSA-N |
| Molecular Weight |
426.729 g/mol |
| SMILES |
[C@]12([C@@]3(C(=O)[C@@](CC2CC[C@]2([C@@]4(CC[C@@]([C@]4(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])(C)CC3)[H])C |
| SPLASH |
splash10-00lr-0009000000-696387da93742ab2b505 |
| Source of Spectrum |
J-44-1379-0 |
| Wiley ID |
1380240 |
