| SpectraBase Spectrum ID |
CvhvFtFyZqv |
| Name |
2-{[(3S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.288243089 u |
| Formula |
C30H38N2O3 |
| InChI |
InChI=1S/C30H38N2O3/c1-19(33)24-9-10-25-23-8-7-20-16-22(11-13-29(20,2)26(23)12-14-30(24,25)3)35-18-21-17-28(34)32-15-5-4-6-27(32)31-21/h4-7,15,17,22-26H,8-14,16,18H2,1-3H3/t22-,23-,24+,25-,26-,29-,30+/m0/s1 |
| InChIKey |
BOWKJIDMPPBOIK-ZXCCCHNMSA-N |
| Instrument Name |
Jeol AccuTOF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201801111 |
| Molecular Weight |
474.645 g/mol |
| Quality |
31 |
| Reported Formula |
C30H38N2O3 |
| SMILES |
C1C[C@]2(C(C[C@]1(OCC=1N=C3N(C(C1)=O)C=CC=C3)[H])=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C(=O)C)[H])[H])C)[H])[H])C |
| SPLASH |
splash10-01t9-0910000000-e1cad1f019f35bff9de6 |
| Source of Spectrum |
ACI-57-SM32-6 (DOI: 10.1002/anie.201801111) |
| Wiley ID |
1893002 |
![2-{[(3S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one](/api/spectrum/CvhvFtFyZqv/structure.png?h=300&w=458 "2-{[(3S,8R,9S,10S,13S,14S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxy]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one")
