CID 13992218
Majoroside f4
Structural Information
- Molecular Formula
- C42H72O14
- SMILES
- CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)CO)O)O)O)C)CC(C5C3(CCC5C(C)(C/C=C/C(C)(C)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)C
- InChI
- InChI=1S/C42H72O14/c1-37(2,52)13-9-14-42(8,56-36-34(51)32(49)30(47)24(20-44)54-36)21-10-16-41(7)28(21)22(45)18-26-39(5)15-12-27(38(3,4)25(39)11-17-40(26,41)6)55-35-33(50)31(48)29(46)23(19-43)53-35/h9,13,21-36,43-52H,10-12,14-20H2,1-8H3/b13-9+
- InChIKey
- DLGUZDHEUZPNLJ-UKTHLTGXSA-N
- Compound name
- 2-[[12-hydroxy-17-[(E)-6-hydroxy-6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 801.49948 | 264.2 |
[M+Na]+ | 823.48142 | 261.9 |
[M+NH4]+ | 818.52602 | 262.5 |
[M+K]+ | 839.45536 | 267.9 |
[M-H]- | 799.48492 | 256.1 |
[M+Na-2H]- | 821.46687 | 275.6 |
[M]+ | 800.49165 | 260.9 |
[M]- | 800.49275 | 260.9 |