vobasine
Molecular Formula:
C
21
H
24
N
2
O
3
InChI:
InChI=1/C21H24N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h4-8,14,17,19,22H,9-11H2,1-3H3/b12-4-/t14-,17+,19-/m0/s1
InChIKey:
InChIKey=TYPMTMPLTVSOBU-WGRGEXIDBZ
SMILES:
[H]\C(C)=C1/CN(C)[C@]2([H])Cc3c([nH]c4ccccc34)C(=O)C[C@]1([H])[C@]2([H])C(=O)OC
CAS number 2134-83-0
Names:
CHEBI:10015
methyl 3-oxovobasan-17-oate
Vobasine
vobasine
2134-83-0
3-oxovobasan-17-oic acid, methyl ester
Registries:
PubChem CID 9548898
Beilstein =95955
CAS 2134-83-0 (from NIST)
ChEBI 10015
Kegg C09253
PubChem ID 11444
PubChem ID 14718458