CID 163053708
[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(3-methylbutanoyloxymethyl)oxan-2-yl] (2e,4e,6e,8e,10e,12e,14e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,18,22-nonaenoate
Structural Information
- Molecular Formula
- C41H60O8
- SMILES
- CC(C)CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)O)O)O
- InChI
- InChI=1S/C41H60O8/c1-28(2)16-12-19-32(7)22-13-20-30(5)17-10-11-18-31(6)21-14-23-33(8)24-15-25-34(9)40(46)49-41-39(45)38(44)37(43)35(48-41)27-47-36(42)26-29(3)4/h10-11,14-18,21-25,29,35,37-39,41,43-45H,12-13,19-20,26-27H2,1-9H3/b11-10+,21-14+,24-15+,30-17+,31-18+,32-22+,33-23+,34-25+/t35-,37-,38+,39-,41+/m1/s1
- InChIKey
- DESMTXYDFVNXDC-JFQCTCNVSA-N
- Compound name
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(3-methylbutanoyloxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,18,22-nonaenoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 681.43611 | 252.1 |
[M+Na]+ | 703.41805 | 263.3 |
[M-H]- | 679.42155 | 257.8 |
[M+NH4]+ | 698.46265 | 266.0 |
[M+K]+ | 719.39199 | 264.7 |
[M+H-H2O]+ | 663.42609 | 256.8 |
[M+HCOO]- | 725.42703 | 252.8 |
[M+CH3COO]- | 739.44268 | 274.1 |
[M+Na-2H]- | 701.40350 | 241.5 |
[M]+ | 680.42828 | 250.2 |
[M]- | 680.42938 | 250.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.