| SpectraBase Spectrum ID |
Ju4Ju8nmA3a |
| Name |
Methyl 1,3,5(10),6,8,11-hexahydro-15-acetoxy-14-oxa-4,4,8,10-tetramethyl-benzo[A]phenanthren-17-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.240624190 u |
| Formula |
C25H34O5 |
| InChI |
InChI=1S/C25H34O5/c1-15(26)29-18-13-17(22(27)28-6)12-16-14-20-24(4)10-7-9-23(2,3)19(24)8-11-25(20,5)30-21(16)18/h12-13,19-20H,7-11,14H2,1-6H3/t19-,20?,24?,25?/m0/s1 |
| InChIKey |
NFEKZOYQRLNJGZ-JPMZOKIOSA-N |
| Molecular Weight |
414.542 g/mol |
| SMILES |
C12(C3C(OC4=C(C3)C=C(C(=O)OC)C=C4OC(=O)C)(C)CC[C@]2(C(C)(C)CCC1)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849769 |
![Methyl 1,3,5(10),6,8,11-hexahydro-15-acetoxy-14-oxa-4,4,8,10-tetramethyl-benzo[a]phenanthren-17-carboxylate](/api/spectrum/Ju4Ju8nmA3a/structure.png?h=300&w=458 "Methyl 1,3,5(10),6,8,11-hexahydro-15-acetoxy-14-oxa-4,4,8,10-tetramethyl-benzo[a]phenanthren-17-carboxylate")
