| SpectraBase Spectrum ID |
L6S8sPDe6qX |
| Name |
(4R,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]-4-hydroxy-2-methylenehexanoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
682.441737007 u |
| Formula |
C44H62O4Si |
| InChI |
InChI=1S/C44H62O4Si/c1-9-47-41(46)30(2)28-40(45)31(3)37-22-23-38-36-21-20-32-29-33(24-26-43(32,7)39(36)25-27-44(37,38)8)48-49(42(4,5)6,34-16-12-10-13-17-34)35-18-14-11-15-19-35/h10-20,31,33,36-40,45H,2,9,21-29H2,1,3-8H3/t31-,33-,36-,37+,38-,39-,40+,43-,44+/m0/s1 |
| InChIKey |
UXHALZVYFHWRDZ-LRMKBIOHSA-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@@](CC(C(=O)OCC)=C)(O)[H])(C)[H])[H])[H])C |
![(4R,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]-4-hydroxy-2-methylenehexanoic acid ethyl ester](/api/spectrum/L6S8sPDe6qX/structure.png?h=300&w=458 "(4R,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]-4-hydroxy-2-methylenehexanoic acid ethyl ester")
