CID 101423914
(2r,3r,4s,5s,6r)-2-[(2e,4e,6e,8e,10e,12e,14e,16e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Structural Information
- Molecular Formula
- C36H52O6
- SMILES
- CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)C
- InChI
- InChI=1S/C36H52O6/c1-26(2)14-10-17-29(5)20-11-18-27(3)15-8-9-16-28(4)19-12-21-30(6)22-13-23-31(7)25-41-36-35(40)34(39)33(38)32(24-37)42-36/h8-9,11-16,18-23,32-40H,10,17,24-25H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,27-15+,28-16+,29-20+,30-21+,31-23+/t32-,33-,34+,35-,36-/m1/s1
- InChIKey
- WOTSVDYWYPZSJS-ZRDUHDQWSA-N
- Compound name
- (2R,3R,4S,5S,6R)-2-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 581.38368 | 231.8 |
[M+Na]+ | 603.36562 | 242.0 |
[M-H]- | 579.36912 | 232.7 |
[M+NH4]+ | 598.41022 | 237.2 |
[M+K]+ | 619.33956 | 240.4 |
[M+H-H2O]+ | 563.37366 | 233.9 |
[M+HCOO]- | 625.37460 | 239.3 |
[M+CH3COO]- | 639.39025 | 252.8 |
[M+Na-2H]- | 601.35107 | 220.8 |
[M]+ | 580.37585 | 227.3 |
[M]- | 580.37695 | 227.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.