(1r,3as,3bs,7s,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1s)-1-[(2r,5s)-5-methylpiperidin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
AlkaPlorer ID: AK004753
Synonym: '', 'Oblonginine', '(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(1S)-1-(2R,5S)-5-methylpiperidin-2-ylethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopentaaphenanthren-7-ol', 'Veramiline'
IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Structure
SMILES: C[C@H]1CC[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)NC1
InChI: InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1
InChIKey: SWTXHUUBYZNDAJ-OWJFKGPJSA-N
Reference
Reassignment of the stereochemistry of oblonginine
PubChem CID: 22215372
LOTUS: LTS0000102
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Veratrum oblongum | Veratrum | Melanthiaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 399.6630000000002
TPSA？: 32.26
MolLogP？: 5.950500000000006
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|