| SpectraBase Spectrum ID |
GLbrluvwMTD |
| Name |
(2R,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[Tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-17-yl]-2-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
740.519987329 u |
| Formula |
C48H72O4Si |
| InChI |
InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34-,36-,39-,40+,41-,42-,43-,47-,48+/m0/s1 |
| InChIKey |
YBCYQXKSBIMFHI-NYZUFOCUSA-N |
| Molecular Weight |
741.185 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(C=2C=CC=CC2)C2=CC=CC=C2)(C4)[H])C)[H])(CC[C@@]1([C@@]([C@](C[C@](C(=O)OCC)(CC(C)(C)C)[H])(O)[H])(C)[H])[H])[H])C |
![(2R,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester](/api/spectrum/GLbrluvwMTD/structure.png?h=300&w=458 "(2R,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester")
