CID 122706458
C37-phenolphthiocerol a
Structural Information
- Molecular Formula
- C37H68O4
- SMILES
- CC[C@H]([C@@H](C)CCCC[C@H](C[C@@H](CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)O)O)O)OC
- InChI
- InChI=1S/C37H68O4/c1-4-37(41-3)32(2)23-21-22-26-36(40)31-35(39)25-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24-33-27-29-34(38)30-28-33/h27-30,32,35-40H,4-26,31H2,1-3H3/t32-,35+,36+,37+/m0/s1
- InChIKey
- GDIGGEUWHKJEEK-OBSFXCBMSA-N
- Compound name
- (3R,4S,9R,11R)-29-(4-hydroxyphenyl)-3-methoxy-4-methylnonacosane-9,11-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 577.51908 | 262.6 |
[M+Na]+ | 599.50102 | 256.0 |
[M-H]- | 575.50452 | 227.9 |
[M+NH4]+ | 594.54562 | 240.4 |
[M+K]+ | 615.47496 | 249.5 |
[M+H-H2O]+ | 559.50906 | 252.3 |
[M+HCOO]- | 621.51000 | 242.2 |
[M+CH3COO]- | 635.52565 | 258.0 |
[M+Na-2H]- | 597.48647 | 249.1 |
[M]+ | 576.51125 | 239.7 |
[M]- | 576.51235 | 239.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.