CID 131751017
4-[13-hydroxy-13-[5-[5-(1,8,9-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2h-furan-5-one
Structural Information
- Molecular Formula
- C37H66O8
- SMILES
- CCC(C(CCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O
- InChI
- InChI=1S/C37H66O8/c1-3-29(38)30(39)19-15-12-13-17-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-16-11-9-7-5-4-6-8-10-14-18-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3
- InChIKey
- FXUFAUVCSYAYLC-UHFFFAOYSA-N
- Compound name
- 4-[13-hydroxy-13-[5-[5-(1,8,9-trihydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 639.48305 | 263.6 |
[M+Na]+ | 661.46499 | 262.0 |
[M+NH4]+ | 656.50959 | 263.0 |
[M+K]+ | 677.43893 | 265.5 |
[M-H]- | 637.46849 | 264.8 |
[M+Na-2H]- | 659.45044 | 254.8 |
[M]+ | 638.47522 | 262.8 |
[M]- | 638.47632 | 262.8 |
Literature stripe
Patent stripe
No patent data available for this compound.