| SpectraBase Spectrum ID |
Bf690ZgbDtj |
| Name |
11.alpha.,11'.alpha.-(3-Hexene-1,6-diyl)bis-de-A,B-cholestan-8-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H72O2 |
| InChI |
InChI=1S/C42H72O2/c1-29(2)15-13-17-31(5)35-21-23-37-39(43)25-33(27-41(35,37)7)19-11-9-10-12-20-34-26-40(44)38-24-22-36(42(38,8)28-34)32(6)18-14-16-30(3)4/h9-10,29-38H,11-28H2,1-8H3/b10-9-/t31-,32-,33+,34+,35-,36-,37+,38?,41-,42-/m1/s1 |
| InChIKey |
JSCFXZYMOLALKK-KGICIMPYSA-N |
| Molecular Weight |
609.036 g/mol |
| SMILES |
[C@@]12([C@](C(=O)C[C@@](C2)(CC\C=C/CC[C@@]2(C[C@@]3([C@](CCC3C(C2)=O)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-00di-0900000000-b7001aa112e82cb40aaf |
| Source of Spectrum |
J-65-8294-20 |
| Wiley ID |
1533872 |
