| SpectraBase Spectrum ID |
34FqDwocIBQ |
| Name |
5.alpha.-Cholestan-7.alpha.-yl 4-(.alpha.-Hydroxyphenylmethyl)phenylacetate 25,.alpha.-ether |
| Alternate Name(s) |
(5R,7R,12S,16R,20R,21R)-12,16,21,25,25-pentamethyl-27-phenyl-4,26-dioxahexacyclo[26.2.2.1(5,13).0(7,12).0(16,20).0(17,33)]tritriaconta-1(30),28,31-trien-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H58O3 |
| InChI |
InChI=1S/C42H58O3/c1-28-12-11-23-40(2,3)45-39(30-13-7-6-8-14-30)31-18-16-29(17-19-31)26-37(43)44-36-27-32-15-9-10-24-41(32,4)35-22-25-42(5)33(28)20-21-34(42)38(35)36/h6-8,13-14,16-19,28,32-36,38-39H,9-12,15,20-27H2,1-5H3/t28-,32-,33-,34?,35?,36-,38?,39?,41+,42-/m1/s1 |
| InChIKey |
SJRFNJIAIHJINB-WCQGPYDLSA-N |
| Molecular Weight |
610.923 g/mol |
| SMILES |
[C@]12(C3C4[C@](OC(=O)Cc5ccc(C(OC(CCC[C@]([C@]2(CC3)[H])(C)[H])(C)C)c2ccccc2)cc5)(C[C@@]2([C@](C4CC1)(C)CCCC2)[H])[H])C |
| SPLASH |
splash10-03di-0000029000-568fcf9d3a3453748962 |
| Source of Spectrum |
KC-0-65-8 |
| Wiley ID |
782911 |
