| SpectraBase Spectrum ID |
B34EKerlzD4 |
| Name |
Acetic acid, 17-[1-hydroxy-1,5-dimethyl-5-(tetrahydro-pyran-2-yloxy)-hex-2-ynyl]-10,13-dimethyl-11-oxo-hexadecahydrocyclopenta[A]phenanthren-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
558.392039453 u |
| Formula |
C34H54O6 |
| InChI |
InChI=1S/C32H50O4.C2H4O2/c1-29(2,36-27-12-7-9-20-35-27)17-10-19-32(5,34)26-16-15-24-23-14-13-22-11-6-8-18-30(22,3)28(23)25(33)21-31(24,26)4;1-2(3)4/h22-24,26-28,34H,6-9,11-18,20-21H2,1-5H3;1H3,(H,3,4) |
| InChIKey |
YKTDYEDZXFGVOK-UHFFFAOYSA-N |
| Molecular Weight |
558.800 g/mol |
| Nominal Mass |
558 u |
| SMILES |
OC(=O)C.OC(C1C2(CC(C3C(C2CC1)CCC1C3(C)CCCC1)=O)C)(C#CCC(C)(C)OC1OCCCC1)C |
![Acetic acid, 17-[1-hydroxy-1,5-dimethyl-5-(tetrahydro-pyran-2-yloxy)-hex-2-ynyl]-10,13-dimethyl-11-oxo-hexadecahydrocyclopenta[A]phenanthren-2-yl ester](/api/spectrum/B34EKerlzD4/structure.png?h=300&w=458 "Acetic acid, 17-[1-hydroxy-1,5-dimethyl-5-(tetrahydro-pyran-2-yloxy)-hex-2-ynyl]-10,13-dimethyl-11-oxo-hexadecahydrocyclopenta[A]phenanthren-2-yl ester")
