CID 11645621
(+)-8-hydroxy-5,5-dimethylpeltogynan
Structural Information
- Molecular Formula
- C18H18O6
- SMILES
- CC1(C2=CC(=C(C=C2[C@@H]3[C@@H](O1)CC4=C(C=C(C=C4O3)O)O)O)O)C
- InChI
- InChI=1S/C18H18O6/c1-18(2)11-7-14(22)13(21)5-9(11)17-16(24-18)6-10-12(20)3-8(19)4-15(10)23-17/h3-5,7,16-17,19-22H,6H2,1-2H3/t16-,17+/m0/s1
- InChIKey
- QEJAXMORBPLKCL-DLBZAZTESA-N
- Compound name
- (6aS,12aR)-5,5-dimethyl-7,12a-dihydro-6aH-isochromeno[4,3-b]chromene-2,3,8,10-tetrol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.11763 | 174.4 |
[M+Na]+ | 353.09957 | 184.1 |
[M-H]- | 329.10307 | 177.7 |
[M+NH4]+ | 348.14417 | 188.8 |
[M+K]+ | 369.07351 | 182.0 |
[M+H-H2O]+ | 313.10761 | 167.8 |
[M+HCOO]- | 375.10855 | 183.6 |
[M+CH3COO]- | 389.12420 | 184.5 |
[M+Na-2H]- | 351.08502 | 180.5 |
[M]+ | 330.10980 | 175.7 |
[M]- | 330.11090 | 175.7 |