| SpectraBase Compound ID | tFB5S3dQnu |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 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 | 85AIDP2Btlj |
|---|---|
| Name | Maniladiol;olean-12-ene-3-beta,16-beta-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24-,27-,28-,29+,30+/m0/s1 |
| InChIKey | VLRYIIPJIVGFIV-QQSFYHFXSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC=C2[C@]1(C[C@](O)([C@@]1([C@]2(CC(CC1)(C)C)[H])C)[H])C)[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916736 |