CID 14060932
Isograyanotoxin ii
Structural Information
- Molecular Formula
- C20H32O5
- SMILES
- CC1=C2CC[C@@H]3[C@H]([C@@]2(C[C@H]([C@]4([C@H]1C[C@@H](C4(C)C)O)O)O)C[C@@]3(C)O)O
- InChI
- InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16-,18-,19+,20+/m1/s1
- InChIKey
- LLNZGRNLXLQFAC-KLKQSVAXSA-N
- Compound name
- (1S,3R,4R,6S,8S,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadec-9-ene-3,4,6,14,16-pentol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 353.23226 | 185.7 |
[M+Na]+ | 375.21420 | 193.2 |
[M-H]- | 351.21770 | 186.5 |
[M+NH4]+ | 370.25880 | 209.2 |
[M+K]+ | 391.18814 | 187.6 |
[M+H-H2O]+ | 335.22224 | 184.3 |
[M+HCOO]- | 397.22318 | 191.4 |
[M+CH3COO]- | 411.23883 | 193.8 |
[M+Na-2H]- | 373.19965 | 185.9 |
[M]+ | 352.22443 | 180.7 |
[M]- | 352.22553 | 180.7 |
Literature stripe
Patent stripe
No patent data available for this compound.