CID 11214329
(20r)-24-hydroxy-19-norgeminivitamin d3
Structural Information
- Molecular Formula
- C31H54O5
- SMILES
- C[C@]12CCC/C(=C\C=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC[C@H](C(C)(C)O)O
- InChI
- InChI=1S/C31H54O5/c1-29(2,35)16-6-8-23(12-15-28(34)30(3,4)36)27-14-13-26-22(9-7-17-31(26,27)5)11-10-21-18-24(32)20-25(33)19-21/h10-11,23-28,32-36H,6-9,12-20H2,1-5H3/b22-11+/t23-,24-,25-,26+,27-,28-,31+/m1/s1
- InChIKey
- DPFVGAAKUUYVQT-CNYUWUMVSA-N
- Compound name
- (3R,6R)-6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxycyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,10-dimethylundecane-2,3,10-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 507.40441 | 230.5 |
[M+Na]+ | 529.38635 | 226.6 |
[M-H]- | 505.38985 | 227.2 |
[M+NH4]+ | 524.43095 | 238.2 |
[M+K]+ | 545.36029 | 221.0 |
[M+H-H2O]+ | 489.39439 | 226.7 |
[M+HCOO]- | 551.39533 | 227.8 |
[M+CH3COO]- | 565.41098 | 236.0 |
[M+Na-2H]- | 527.37180 | 222.1 |
[M]+ | 506.39658 | 221.6 |
[M]- | 506.39768 | 221.6 |
Literature stripe
Patent stripe
No patent data available for this compound.