| SpectraBase Spectrum ID |
3hULaPyGF0x |
| Name |
Helianol [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-eupha-4,24-dien-3-ol] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.401816293 u |
| Formula |
C30H52O |
| InChI |
InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey |
PDGUDHUKTNJAMM-GSHMMLCQSA-N |
| Molecular Weight |
428.745 g/mol |
| SMILES |
[C@@]12([C@]([C@@]([C@@](CCC=C(C)C)(C)[H])([H])CC2)(CC[C@@]2([C@@]1(CCC(=C(C)C)[C@]2(CCCO)[H])[H])C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886499 |
![Helianol [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-eupha-4,24-dien-3-ol]](/api/spectrum/3hULaPyGF0x/structure.png?h=300&w=458 "Helianol [3,4-seco-19(10-9)abeo-8.alpha.,9.beta.,10.alpha.-eupha-4,24-dien-3-ol]")
