Octanoic acid,octahydro-3a,5,5-trimethyl-2,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-ylester, [1aS-(1aa,3b,3ab,3ba,4a,6aa,7aR*)]- (9CI)

Modify Date: 2024-02-25 11:48:32

Octanoic acid,octahydro-3a,5,5-trimethyl-2,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-ylester, [1aS-(1aa,3b,3ab,3ba,4a,6aa,7aR*)]- (9CI) structure	Common Name	Octanoic acid,octahydro-3a,5,5-trimethyl-2,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-ylester, [1aS-(1aa,3b,3ab,3ba,4a,6aa,7aR*)]- (9CI)
	CAS Number	34864-30-7	Molecular Weight	404.49700
	Density	1.24g/cm3	Boiling Point	528.6ºC at 760mmHg
	Molecular Formula	C₂₃H₃₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	228.7ºC

Name	Diketocoriolin B
Synonym	More Synonyms

Density	1.24g/cm3
Boiling Point	528.6ºC at 760mmHg
Molecular Formula	C₂₃H₃₂O₆
Molecular Weight	404.49700
Flash Point	228.7ºC
Exact Mass	404.22000
PSA	85.50000
LogP	2.99930
Index of Refraction	1.551

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH0780500

CHEMICAL NAME :: Octanoic acid, octahydro-3a,5,5-trimethyl-2,7-dioxospiro(cyclopenta( 4,5)pentaleno(1,6a-be ta) oxirene-3(3ah),2'-oxiran)-4-yl ester, (1a-alpha,3-beta,3a-beta,3b-alpha,4-alpha,6a- alpha,7ar*)-

CAS REGISTRY NUMBER :: 34864-30-7

LAST UPDATED :: 199310

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C23-H32-O6

MOLECULAR WEIGHT :: 404.55

WISWESSER LINE NOTATION :: T C5553 1A L BV IXV LOTJ E1 E1 FOV7 H1 I-& BT3OX CHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,631,1971

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >80 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,631,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg/10D-C

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,631,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg/10D-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 24,631,1971

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Octanoic acid,octahydro-3a,5,5-trimethyl-2,7-dioxospiro[cyclopenta[4,5]pentaleno[1,6a-b]oxirene-3(3aH),2'-oxiran]-4-ylester, [1aS-(1aa,3b,3ab,3ba,4a,6aa,7aR*)]- (9CI)

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synonyms