| SpectraBase Spectrum ID |
49XO2Jn1st8 |
| Name |
6'-(tert-Butoxycarbonylaminomethyl)nicotinic acid 3-(tert-butyldimethylsilyloxy)estra-1,3,5(10)-trien-17.beta.-yl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H52N2O5Si |
| InChI |
InChI=1S/C36H52N2O5Si/c1-34(2,3)42-33(40)38-22-25-12-10-24(21-37-25)32(39)41-31-17-16-30-29-14-11-23-20-26(43-44(8,9)35(4,5)6)13-15-27(23)28(29)18-19-36(30,31)7/h10,12-13,15,20-21,28-31H,11,14,16-19,22H2,1-9H3,(H,38,40)/t28-,29-,30+,31+,36+/m1/s1 |
| InChIKey |
VMMWEGMHDWZOJJ-LWBXHBOBSA-N |
| Molecular Weight |
620.906 g/mol |
| SMILES |
N(Cc1ncc(C(O[C@@]2([C@@]3([C@]([C@@]4(CCc5c([C@]4(CC3)[H])ccc(c5)O[Si](C(C)(C)C)(C)C)[H])(CC2)[H])C)[H])=O)cc1)C(OC(C)(C)C)=O |
| SPLASH |
splash10-11bj-0970675000-7a6d42f7028cdb4a10a3 |
| Source of Spectrum |
CMC-2-339-2e |
| Synonyms |
(8R,9S,13S,14S,17S)-3-((tert-butyldimethylsilyl)oxy)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl 6-(((tert-butoxycarbonyl)amino)methyl)nicotinate |
| Wiley ID |
1771461 |
