CID 14282633
Helihumulone
Structural Information
- Molecular Formula
- C26H32O5
- SMILES
- CC(=CCC1=C(C(C(=O)C(=C1O)C(=O)CCC2=CC=CC=C2)(CC=C(C)C)OC)O)C
- InChI
- InChI=1S/C26H32O5/c1-17(2)11-13-20-23(28)22(21(27)14-12-19-9-7-6-8-10-19)25(30)26(31-5,24(20)29)16-15-18(3)4/h6-11,15,28-29H,12-14,16H2,1-5H3
- InChIKey
- IRPIRROHIISGKY-UHFFFAOYSA-N
- Compound name
- 3,5-dihydroxy-6-methoxy-4,6-bis(3-methylbut-2-enyl)-2-(3-phenylpropanoyl)cyclohexa-2,4-dien-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 425.23226 | 202.5 |
[M+Na]+ | 447.21420 | 207.4 |
[M-H]- | 423.21770 | 205.9 |
[M+NH4]+ | 442.25880 | 213.4 |
[M+K]+ | 463.18814 | 202.7 |
[M+H-H2O]+ | 407.22224 | 195.5 |
[M+HCOO]- | 469.22318 | 217.1 |
[M+CH3COO]- | 483.23883 | 227.5 |
[M+Na-2H]- | 445.19965 | 197.3 |
[M]+ | 424.22443 | 205.5 |
[M]- | 424.22553 | 205.5 |
Literature stripe
Patent stripe
No patent data available for this compound.