croomine
AlkaPlorer ID: AK053360
Synonym: 'croomine', "(2S,3'S,4R,9a'S)-4-Methyl-3'-(2S,4S)-4-methyl-5-oxotetrahydro-2-furanyldecahydro-5H-spirofuran-2,9'-pyrrolo1,2-aazepin-5-one", 'Croomine', '(+)-Croomine'
IUPAC Name: (3S,3'R,9S,9aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
Structure
SMILES: C[C@@H]1C[C@]2(CCCCN3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)OC1=O
InChI: InChI=1S/C18H27NO4/c1-11-9-14(22-16(11)20)13-5-6-15-18(7-3-4-8-19(13)15)10-12(2)17(21)23-18/h11-15H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,18-/m0/s1
InChIKey: FOGTVYCUHQOMDW-QANXDEHQSA-N
Reference
PubChem CID: 3085457
CAS: 71239-66-2
LOTUS: LTS0177838
SuperNatural Ⅲ: SN0091103-04
NPASS: NPC141344
Source
Properties Information
Molecule Weight: 321.4170000000001
TPSA？: 55.84
MolLogP？: 2.2767
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|