CID 15249369
5,6alpha-epoxy-cholest-8(14)-en-3beta,7alpha-diol
Structural Information
- Molecular Formula
- C27H44O3
- SMILES
- C[C@H](CCCC(C)C)[C@H]1CCC2=C3[C@H](CC[C@]12C)[C@]4(CC[C@@H](C[C@]45[C@H]([C@H]3O)O5)O)C
- InChI
- InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)19-9-10-20-22-21(12-13-25(19,20)4)26(5)14-11-18(28)15-27(26)24(30-27)23(22)29/h16-19,21,23-24,28-29H,6-15H2,1-5H3/t17-,18+,19-,21+,23+,24+,25-,26-,27+/m1/s1
- InChIKey
- QGPRPAGWTZZDBC-LCKJKBBVSA-N
- Compound name
- (1S,2R,5S,7R,9S,10S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-11-ene-5,10-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 417.33632 | 202.1 |
[M+Na]+ | 439.31826 | 206.8 |
[M-H]- | 415.32176 | 205.4 |
[M+NH4]+ | 434.36286 | 216.2 |
[M+K]+ | 455.29220 | 203.1 |
[M+H-H2O]+ | 399.32630 | 197.4 |
[M+HCOO]- | 461.32724 | 202.9 |
[M+CH3COO]- | 475.34289 | 208.1 |
[M+Na-2H]- | 437.30371 | 199.4 |
[M]+ | 416.32849 | 202.3 |
[M]- | 416.32959 | 202.3 |