CID 91572
Phaseollin
Structural Information
- Molecular Formula
- C20H18O4
- SMILES
- CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O)C
- InChI
- InChI=1S/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3/t15-,19-/m0/s1
- InChIKey
- LWTDZKXXJRRKDG-KXBFYZLASA-N
- Compound name
- (2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 323.12778 | 171.9 |
[M+Na]+ | 345.10972 | 182.2 |
[M-H]- | 321.11322 | 180.1 |
[M+NH4]+ | 340.15432 | 189.6 |
[M+K]+ | 361.08366 | 180.1 |
[M+H-H2O]+ | 305.11776 | 165.1 |
[M+HCOO]- | 367.11870 | 184.2 |
[M+CH3COO]- | 381.13435 | 183.7 |
[M+Na-2H]- | 343.09517 | 178.8 |
[M]+ | 322.11995 | 174.9 |
[M]- | 322.12105 | 174.9 |