CID 24779651
Eb 1213
Structural Information
- Molecular Formula
- C31H44O4
- SMILES
- C[C@H](COC1=CC=CC(=C1)C(C)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
- InChI
- InChI=1S/C31H44O4/c1-20(19-35-26-10-6-9-24(17-26)30(3,4)34)27-13-14-28-22(8-7-15-31(27,28)5)11-12-23-16-25(32)18-29(33)21(23)2/h6,9-12,17,20,25,27-29,32-34H,2,7-8,13-16,18-19H2,1,3-5H3/b22-11+,23-12-/t20-,25-,27-,28+,29+,31-/m1/s1
- InChIKey
- VGFVBXSHQJLSKO-FNHUCILJSA-N
- Compound name
- (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 481.33125 | 223.1 |
[M+Na]+ | 503.31319 | 223.3 |
[M-H]- | 479.31669 | 227.0 |
[M+NH4]+ | 498.35779 | 233.1 |
[M+K]+ | 519.28713 | 216.1 |
[M+H-H2O]+ | 463.32123 | 216.4 |
[M+HCOO]- | 525.32217 | 227.2 |
[M+CH3COO]- | 539.33782 | 234.9 |
[M+Na-2H]- | 501.29864 | 214.8 |
[M]+ | 480.32342 | 214.6 |
[M]- | 480.32452 | 214.6 |
Literature stripe
Patent stripe
No patent data available for this compound.