CID 122706298
C34-phenolphthiotriol a
Structural Information
- Molecular Formula
- C34H62O4
- SMILES
- CC[C@H]([C@@H](C)CCCC[C@H](C[C@@H](CCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)O)O)O
- InChI
- InChI=1S/C34H62O4/c1-3-34(38)29(2)20-18-19-23-33(37)28-32(36)22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-21-30-24-26-31(35)27-25-30/h24-27,29,32-38H,3-23,28H2,1-2H3/t29-,32+,33+,34+/m0/s1
- InChIKey
- VVPCVZFMTFYBFJ-KXSUPTTBSA-N
- Compound name
- (3R,4S,9R,11R)-27-(4-hydroxyphenyl)-4-methylheptacosane-3,9,11-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 535.47208 | 249.5 |
[M+Na]+ | 557.45402 | 243.8 |
[M-H]- | 533.45752 | 242.9 |
[M+NH4]+ | 552.49862 | 227.5 |
[M+K]+ | 573.42796 | 237.2 |
[M+H-H2O]+ | 517.46206 | 240.0 |
[M+HCOO]- | 579.46300 | 230.9 |
[M+CH3COO]- | 593.47865 | 247.4 |
[M+Na-2H]- | 555.43947 | 237.0 |
[M]+ | 534.46425 | 254.3 |
[M]- | 534.46535 | 254.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.