CID 131753007
2-(2-methylbutanoyl)-9-(3-methyl-2e-pentenoyl)-2b,9a-dihydroxy-4z,10(14)-oplopadien-3-one
Structural Information
- Molecular Formula
- C26H38O5
- SMILES
- CCC(C)C(=O)OC1C2C(C(CC(C2=C)OC(=O)/C=C(\C)/CC)C(C)C)/C(=C/C)/C1=O
- InChI
- InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11-
- InChIKey
- XTQQLVJPORCMAK-XIMUYODMSA-N
- Compound name
- [(1Z)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 431.27918 | 204.6 |
[M+Na]+ | 453.26112 | 207.6 |
[M-H]- | 429.26462 | 207.3 |
[M+NH4]+ | 448.30572 | 217.7 |
[M+K]+ | 469.23506 | 204.0 |
[M+H-H2O]+ | 413.26916 | 199.9 |
[M+HCOO]- | 475.27010 | 215.2 |
[M+CH3COO]- | 489.28575 | 235.8 |
[M+Na-2H]- | 451.24657 | 192.5 |
[M]+ | 430.27135 | 206.4 |
[M]- | 430.27245 | 206.4 |
Literature stripe
Patent stripe
No patent data available for this compound.