| SpectraBase Spectrum ID |
LPZKUV1qhof |
| Name |
Methyl-1-alpha,7-alpha-di-acetoxy-14-oxo-8,15-iso-pimaradien-18-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.230453428 u |
| Formula |
C25H34O7 |
| InChI |
InChI=1S/C25H34O7/c1-8-23(4)11-9-16-20(21(23)28)17(31-14(2)26)13-18-24(5,22(29)30-7)12-10-19(25(16,18)6)32-15(3)27/h8,17-19H,1,9-13H2,2-7H3/t17-,18+,19+,23+,24-,25-/m1/s1 |
| InChIKey |
JOQHFUTUMORWNY-HZATXJPPSA-N |
| Molecular Weight |
446.540 g/mol |
| SMILES |
C1(=O)C=2[C@@](C[C@]3([C@@](CC[C@](OC(=O)C)([C@@]3(C2CC[C@@]1(C=C)C)C)[H])(C(=O)OC)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924667 |
