SpectraBase Spectrum ID |
ErwLT295Wmp |
Name |
Cyclopenta[A]cyclopropa[G]naphthalene-4,8-diol, tetradecahydro-3A,5A,7A-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3A.beta.,4.alpha.,5A.alpha.,6A.alpha.,7A.alpha.,8.beta.,8A.beta.,8B.alpha.)]- |
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/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-17,21-22H,6-10H2,1-5H3/t12-,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1 |
InChIKey |
NHLBSFJAUMLOLZ-FPIFAVEHSA-N |
SMILES |
[C@@]12([C@](C[C@]3([C@]([C@@]2(O)[H])([C@@]2([C@@]([C@](O)(C3)[H])(CC[C@]2(C(C)C)[H])C)[H])[H])C)([H])C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925198 |