| SpectraBase Spectrum ID |
AsZIP56G11e |
| Name |
2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene-17-carbonyl]amino]acetic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.267173290 u |
| Formula |
C25H37NO5 |
| InChI |
InChI=1S/C25H37NO5/c1-15(27)31-17-9-11-24(2)16(13-17)5-6-18-19-7-8-21(23(29)26-14-22(28)30-4)25(19,3)12-10-20(18)24/h5,17-21H,6-14H2,1-4H3,(H,26,29)/t17-,18-,19-,20-,21+,24-,25-/m0/s1 |
| InChIKey |
FWKUXOZICBIHID-ROKGUJHPSA-N |
| Molecular Weight |
431.573 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1(C(NCC(=O)OC)=O)[H])[H])C |
![2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid methyl ester](/api/spectrum/AsZIP56G11e/structure.png?h=300&w=458 "2-[[(3S,8S,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbonyl]amino]acetic acid methyl ester")
