(+/-)-Isorhynchophylline

Catalog Number	ACM39032627-1
CAS Number	39032-62-7
Synonyms	Rhynchophylline
IUPAC Name	Methyl 2-[(3S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate
Molecular Weight	384.47
Molecular Formula	C22H28N2O4
Canonical SMILES	CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
InChI	InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/t14?,15?,19?,22-/m0/s1
InChI Key	DAXYUDFNWXHGBE-PYTKWAODSA-N
Purity	98%+ (HPLC)
Storage	Store in dry, low temperature, sealed, 2-8 °C.
Complexity	663
Exact Mass	384.20490738
Heavy Atom Count	28
Isomeric SMILES	CCC1CN2CC[C@@]3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O
Monoisotopic Mass	384.20490738
Topological Polar Surface Area	67.9Ų

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