| SpectraBase Spectrum ID |
7kmI0Hshymc |
| Name |
(2S,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-ethyl-4-hydroxy-hexanoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
698.473037136 u |
| Formula |
C45H66O4Si |
| InChI |
InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32-,34-,37-,38+,39-,40-,41-,44-,45+/m0/s1 |
| InChIKey |
UFQJKSNBQGQNHA-WQLKQCABSA-N |
| 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)[H])(O)[H])(C)[H])[H])[H])C |
![(2S,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-ethyl-4-hydroxy-hexanoic acid ethyl ester](/api/spectrum/7kmI0Hshymc/structure.png?h=300&w=458 "(2S,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-ethyl-4-hydroxy-hexanoic acid ethyl ester")
