CID 131750946
(1ar,4e,7as,13s,13as,13br)-1,1a,2,3,6,7,7a,13,13a,13b-decahydro-10,12-dihydroxy-1,1,4,7a-tetramethyl-13-(2-methylpropyl)benzo[b]cyclopropa[9,10]cyclodeca[1,2-e]pyran-9,11-dicarboxaldehyde
Structural Information
- Molecular Formula
- C28H38O5
- SMILES
- C/C/1=C/CCC2(C(C(C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)CC(C)C)C4C(C4(C)C)CC1)C
- InChI
- InChI=1S/C28H38O5/c1-15(2)12-17-21-25(32)18(13-29)24(31)19(14-30)26(21)33-28(6)11-7-8-16(3)9-10-20-23(22(17)28)27(20,4)5/h8,13-15,17,20,22-23,31-32H,7,9-12H2,1-6H3/b16-8-
- InChIKey
- XJFLMCYKZVYATJ-PXNMLYILSA-N
- Compound name
- (7Z)-15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 455.27918 | 206.2 |
[M+Na]+ | 477.26112 | 215.2 |
[M-H]- | 453.26462 | 208.2 |
[M+NH4]+ | 472.30572 | 213.4 |
[M+K]+ | 493.23506 | 212.8 |
[M+H-H2O]+ | 437.26916 | 204.9 |
[M+HCOO]- | 499.27010 | 212.2 |
[M+CH3COO]- | 513.28575 | 235.4 |
[M+Na-2H]- | 475.24657 | 204.4 |
[M]+ | 454.27135 | 210.6 |
[M]- | 454.27245 | 210.6 |
Literature stripe
No literature data available for this compound.