CID 44889973
Moreollin
Structural Information
- Molecular Formula
- C35H42O8
- SMILES
- CCOC1C2CC3C(OC(C2=O)(C34C1C(=O)C5=C(O4)C(=C6C(=C5O)C=CC(O6)(C)C)CC=C(C)C)C/C=C(/C)\C=O)(C)C
- InChI
- InChI=1S/C35H42O8/c1-9-40-30-22-16-23-33(7,8)43-34(31(22)39,15-12-19(4)17-36)35(23)25(30)27(38)24-26(37)20-13-14-32(5,6)41-28(20)21(29(24)42-35)11-10-18(2)3/h10,12-14,17,22-23,25,30,37H,9,11,15-16H2,1-8H3/b19-12-
- InChIKey
- IKFKEJSONUWRCD-UNOMPAQXSA-N
- Compound name
- (Z)-4-[16-ethoxy-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 591.29524 | 229.7 |
[M+Na]+ | 613.27718 | 234.2 |
[M-H]- | 589.28068 | 231.1 |
[M+NH4]+ | 608.32178 | 243.6 |
[M+K]+ | 629.25112 | 232.6 |
[M+H-H2O]+ | 573.28522 | 219.8 |
[M+HCOO]- | 635.28616 | 224.0 |
[M+CH3COO]- | 649.30181 | 268.7 |
[M+Na-2H]- | 611.26263 | 230.5 |
[M]+ | 590.28741 | 238.7 |
[M]- | 590.28851 | 238.7 |
Literature stripe
No literature data available for this compound.