| SpectraBase Spectrum ID |
7FGyjXxxjP8 |
| Name |
(4R)-(4Alpha, 5alpha, 10BETA)-13-isopropylpodocarpa-8,11,13-trien-15-oic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20-,21-/m1/s1 |
| InChIKey |
PGZCJOPTDHWYES-HMXCVIKNSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
C1[C@@]2(C=3C=CC(=CC3CC[C@]2([C@](CC1)(C)C(=O)OC)[H])C(C)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.959496 |
