![Diospyrolide [20,29,30-trinor-3.beta.-hydroxy-28,19.beta.-lupanolide]](/api/spectrum/CZH3IiOepAK/structure.png?h=300&w=458 "Diospyrolide [20,29,30-trinor-3.beta.-hydroxy-28,19.beta.-lupanolide]")
| SpectraBase Compound ID | FlzIhHrApsk |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-21,28H,6-15H2,1-5H3/t16-,17?,18+,19-,20+,21+,24+,25-,26-,27?/m1/s1 |
| InChIKey | DUENBZLSJKSMFL-JGCCMGLZSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CZH3IiOepAK |
|---|---|
| Name | Diospyrolide;20,29,30-tri-nor-3-beta-hydroxy-28,19-beta-lupanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.313395209 u |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-21,28H,6-15H2,1-5H3/t16-,17?,18+,19-,20+,21+,24+,25-,26-,27?/m1/s1 |
| InChIKey | DUENBZLSJKSMFL-JGCCMGLZSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC13[C@@]2(C(OC3=O)CC1)[H])C)[H])[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812556 |