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Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione,7-hydroxy-3',6,7,14-tetramethyl-, (1R,2'R,3'R,6R,7R)- (60102-37-6)

Identification
Name:Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione,7-hydroxy-3',6,7,14-tetramethyl-, (1R,2'R,3'R,6R,7R)-
Synonyms:4,8-Secosenecionan-8,11,16-trione,15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15b,20R)-; Fukinotoxin; Fukinotoxin (neutral); NSC279000; NSC 288753; Petasitenine; Petasitenine (neutral);Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione,7-hydroxy-3',6,7,14-tetramethyl-, [1R-[1R*,4R*(R*),6R*,7R*]]-
CAS:60102-37-6
Molecular Formula: C19H27 N O7
Molecular Weight: 381.47
InChI: InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-
Molecular Structure: (C19H27NO7) 4,8-Secosenecionan-8,11,16-trione,15,20-epoxy-15,20-dihydro-12-hydroxy-4-methyl-, (15b,20R)-; Fukino...
Properties
Transport:1544
Flash Point: 325.6°C
Boiling Point: 614.7°C at 760 mmHg
Density:1.29g/cm3
Refractive index:1.557
Specification:

Descriptors computed from structure, you can know some information about Petasitenine (CAS NO.60102-37-6) :
Canonical SMILES: CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C
Isomeric SMILES: C[C@@H]1CC2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C
InChI: InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19?/m1/s1
InChIKey: CZQLULNMKQAIQL-FOUXODHOSA-N

Report:

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 31 ,1983,p. 207.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Packinggroup: III
Flash Point: 325.6°C
Safety Data
 

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