| SpectraBase Spectrum ID |
FZVRZUpJI5t |
| Name |
N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(Dimethylamino)ethyl]-10,13-dimethyl-4-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-yl]benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.340278663 u |
| Formula |
C30H44N2O2 |
| InChI |
InChI=1S/C30H44N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25,27,33H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,27+,29+,30+/m0/s1 |
| InChIKey |
ZJVSTIUIDCVZPW-CLLHIRHQSA-N |
| Molecular Weight |
464.694 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](N(C)C)(C)[H])[H])[H])([H])CC[C@]2([C@@](O)(C(=CC1)NC(=O)C=1C=CC=CC1)[H])[H])[H])C |
![N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide](/api/spectrum/FZVRZUpJI5t/structure.png?h=300&w=458 "N-[(4R,5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxidanyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]benzamide")
