6a-(2-bromoethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one

Modify Date: 2025-11-03 19:43:51

6a-(2-bromoethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one structure	Common Name	6a-(2-bromoethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one
	CAS Number	34403-85-5	Molecular Weight	593.50800
	Density	1.49g/cm3	Boiling Point	795.6ºC at 760 mmHg
	Molecular Formula	C₃₁H₃₃BrN₂O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	435ºC

Name	6a-(2-bromoethyl)-8,9-dimethoxy-13-(phenylacetyl)-4a,5,6,6a,12,12a,12b,12c-octahydro-6,4-(epiminomethano)-1-oxa-10b-azacyclohepta[1,2,3-cd]fluoranthen-11(2h)-one
Synonym	More Synonyms

Density	1.49g/cm3
Boiling Point	795.6ºC at 760 mmHg
Molecular Formula	C₃₁H₃₃BrN₂O₅
Molecular Weight	593.50800
Flash Point	435ºC
Exact Mass	592.15700
PSA	68.31000
LogP	4.26320
Index of Refraction	1.677
InChIKey	NTAGTWDVBOUVGF-UHFFFAOYSA-N
SMILES	COc1cc2c(cc1OC)C1(CCBr)C3CC4C(=CCOC5CC(=O)N2C1C54)CN3C(=O)Cc1ccccc1

(bromoethynyl)b...

CAS#:932-87-6

Brucine

CAS#:357-57-3

6a-(2-bromoethy...

CAS#:34403-85-5

Literature: Dickstein,J.I.; Miller,S.I. Journal of Organic Chemistry, 1972 , vol. 37, # 13 p. 2175 - 2180

Precursor 2
CAS#:932-87-6 (bromoethynyl)b... CAS#:357-57-3 Brucine
DownStream 0

18-bromo-2,3-dimethoxy-19-phenylacetyl-18,19-seco-strychnidin-10-one

18-Brom-19-phenylacetyl-18,19-secobrucin

Names