SpectraBase Spectrum ID |
9xaK15PKx3s |
Name |
(8S,20S)-des-A,B-8-benzoyloxy-20-[4'-(tert-butyldimethylsilyloxy)-4'-methyl-pent-(1'E)-en-yl]-pregnane |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H50O3Si |
InChI |
InChI=1S/C31H50O3Si/c1-23(15-13-21-30(5,6)34-35(8,9)29(2,3)4)25-19-20-26-27(18-14-22-31(25,26)7)33-28(32)24-16-11-10-12-17-24/h10-13,15-17,23,25-27H,14,18-22H2,1-9H3/b15-13+/t23-,25+,26-,27-,31+/m0/s1 |
InChIKey |
QCQZOQVUTOUJFC-SAKIVZJFSA-N |
Instrument Name |
Kratos DS-50 TC |
Ionization Type |
EI |
Molecular Weight |
498.823 g/mol |
Optical Rotation |
[a]D = -21.2 (c = 4.95, CHCl3) |
SMILES |
C[Si](C)(OC(C)(C)C\C=C\[C@@]([C@]1(CC[C@]2([C@](CCC[C@]12C)(OC(c1ccccc1)=O)[H])[H])[H])(C)[H])C(C)(C)C |
SPLASH |
splash10-05fr-0900000000-c7803c44d8a5ae97484b |
Source of Spectrum |
US20110086824A1 |
Wiley ID |
1861746 |