CID 42608234
Presphaerol
Structural Information
- Molecular Formula
- C20H34O
- SMILES
- CC1=C[C@@H]2[C@H]3CC[C@@H]([C@@]3(C[C@@](CC2CC1)(C)O)C)C(C)C
- InChI
- InChI=1S/C20H34O/c1-13(2)17-8-9-18-16-10-14(3)6-7-15(16)11-19(4,21)12-20(17,18)5/h10,13,15-18,21H,6-9,11-12H2,1-5H3/t15?,16-,17+,18+,19-,20-/m0/s1
- InChIKey
- QOYFRUFHTPXBBI-KFCWCOGWSA-N
- Compound name
- (3R,3aS,5S,10aR,10bR)-3a,5,9-trimethyl-3-propan-2-yl-1,2,3,4,6,6a,7,8,10a,10b-decahydrobenzo[e]azulen-5-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 291.26824 | 171.8 |
[M+Na]+ | 313.25018 | 176.0 |
[M-H]- | 289.25368 | 176.0 |
[M+NH4]+ | 308.29478 | 193.6 |
[M+K]+ | 329.22412 | 173.2 |
[M+H-H2O]+ | 273.25822 | 167.9 |
[M+HCOO]- | 335.25916 | 183.0 |
[M+CH3COO]- | 349.27481 | 205.7 |
[M+Na-2H]- | 311.23563 | 170.4 |
[M]+ | 290.26041 | 164.6 |
[M]- | 290.26151 | 164.6 |
Literature stripe
Patent stripe
No patent data available for this compound.