Catalog Number
ACM14019660
Category
Heterocyclic Organic Compound
Synonyms
(3R,20S)-19α-Methyl-2-oxoformosanan-16-carboxylic acid methyl ester
IUPAC Name
methyl (1S,4aS,5aR,6R,10aS)-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
Molecular Formula
C21H24N2O4
Canonical SMILES
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChI
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21+/m0/s1
InChI Key
JMIAZDVHNCCPDM-PMJXBNNDSA-N
Boiling Point
555.2ºC at 760mmHg
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
5
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isomeric SMILES
C[C@H]1[C@@H]2CN3CC[C@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Monoisotopic Mass
368.17360725
Topological Polar Surface Area
67.9 Ų
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