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)-

Modify Date: 2025-08-25 07:40:32

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)- Structure
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)- structure
Common 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)-
CAS Number 60102-37-6 Molecular Weight 381.42000
Density 1.29g/cm3 Boiling Point 614.7ºC at 760 mmHg
Molecular Formula C19H27NO7 Melting Point N/A
MSDS N/A Flash Point 325.6ºC

 Names

Name Petasitenine (neutral)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 614.7ºC at 760 mmHg
Molecular Formula C19H27NO7
Molecular Weight 381.42000
Flash Point 325.6ºC
Exact Mass 381.17900
PSA 105.67000
LogP 0.15860
Index of Refraction 1.557
InChIKey CZQLULNMKQAIQL-PFDMWMSASA-N
SMILES CC1CC2(OC2C)C(=O)OC2CCN(C)CC=C(COC(=O)C1(C)O)C2=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SE5085000
CHEMICAL NAME :
Petasitenine
CAS REGISTRY NUMBER :
60102-37-6
LAST UPDATED :
199510
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C19-H27-N-O7
MOLECULAR WEIGHT :
381.47

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
921 mg/kg/13W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
2 umol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 45,3125,1985 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,207,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 31,207,1983 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW PPTCBY Proceedings of the International Symposium of the Princess Takamatsu Cancer Research Fund. (Japan Scientific Soc. Press, 6-2-10 Hongo, Bunkyo-ku, Tokyo 113, Japan) 1st- 1971- Volume(issue)/page/year: 9,79,1979

 Safety Information

RIDADR UN 1544
Packaging Group III
Hazard Class 6.1(b)

 Synonyms

(15R,20R)-15,20-Epoxy-15,20-dihydro-12-hydroxy-4-methyl-4,8-secosenecionan-8,11,16-trione
Otosenin,Othosenin
Petasitenine
PETASITINENE
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