| SpectraBase Spectrum ID |
KKr3Mwqki9Y |
| Name |
3A,9-Propano-3ah-cyclopentacyclooctene-5,8-diol, 6-ethyl-3,4,5,6,7,8,9,9A-octahydro-4,6,9,10-tetramethyl-, [3ar-(3A.alpha.,4.beta.,5.alpha.,6.alpha.,8.beta.,9.alpha.,9A.alpha.,10R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.255880333 u |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-6-18(4)12-16(21)19(5)11-9-13(2)20(14(3)17(18)22)10-7-8-15(19)20/h7-8,13-17,21-22H,6,9-12H2,1-5H3/t13-,14-,15+,16+,17-,18-,19+,20+/m1/s1 |
| InChIKey |
BZKHDQAJBCESAB-MUIRKLTRSA-N |
| SMILES |
[C@@]123[C@]([C@]([C@@](O)(C[C@]([C@@]([C@]3(C)[H])(O)[H])(CC)C)[H])(C)CC[C@]1(C)[H])(C=CC2)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816748 |
![3a,9-Propano-3aH-cyclopentacyclooctene-5,8-diol, 6-ethyl-3,4,5,6,7,8,9,9a-octahydro-4,6,9,10-tetramethyl-, [3aR-(3a.alpha.,4.beta.,5.alpha.,6.alpha.,8.beta.,9.alpha.,9a.alpha.,10R*)]-](/api/spectrum/KKr3Mwqki9Y/structure.png?h=300&w=458 "3a,9-Propano-3aH-cyclopentacyclooctene-5,8-diol, 6-ethyl-3,4,5,6,7,8,9,9a-octahydro-4,6,9,10-tetramethyl-, [3aR-(3a.alpha.,4.beta.,5.alpha.,6.alpha.,8.beta.,9.alpha.,9a.alpha.,10R*)]-")
