8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-,(3aS,5S,8S,9R,11R,13bS,15R)-

Modify Date: 2024-01-07 17:15:12

8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-,(3aS,5S,8S,9R,11R,13bS,15R)- Structure
8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-,(3aS,5S,8S,9R,11R,13bS,15R)- structure
Common Name 8,11-Ethanofuro[2,3-e]naphtho[2,3-c:6,7-c']dipyran-2,6,13(9H)-trione,3,3a,5,8,11,13b-hexahydro-7,8,12,15-tetrahydroxy-5,9-dimethyl-,(3aS,5S,8S,9R,11R,13bS,15R)-
CAS Number 19879-06-2 Molecular Weight 444.38800
Density 1.77g/cm3 Boiling Point 748.3ºC at 760mmHg
Molecular Formula C22H20O10 Melting Point N/A
MSDS N/A Flash Point 266.8ºC

 Names

Name granaticin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.77g/cm3
Boiling Point 748.3ºC at 760mmHg
Molecular Formula C22H20O10
Molecular Weight 444.38800
Flash Point 266.8ºC
Exact Mass 444.10600
PSA 159.82000
LogP 0.28820
Vapour Pressure 1.6E-23mmHg at 25°C
Index of Refraction 1.745

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MD9100000
CHEMICAL NAME :
Granaticin
CAS REGISTRY NUMBER :
19879-06-2
LAST UPDATED :
199512
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C22-H20-O10
MOLECULAR WEIGHT :
444.42
WISWESSER LINE NOTATION :
T F5 E6 C6666/RW 2AQ W DV GOV KO NV TOTT&&TTJ BQ L1 PQ RQ S1 WQ

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 :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Bacteria - Bacillus subtilis
DOSE/DURATION :
600 nmol/L
REFERENCE :
ZBPHA6 Zentralblatt fuer Bakteriologie, Parasitenkunde, Infektionskrankheiten und Hygiene, Abteilung I: Medizinisch-Hygienische Bakteriologie, Virusforschung und Parasitologie, Originale. (Stuttgart, Fed. Rep. Ger.) V.31-216, 1902-71. For publisher information, see ZMMPAO. Volume(issue)/page/year: 212,259,1969

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

Antibiotic WR 141
WR-141
(3aS)-7,8,12,15syn-Tetrahydroxy-5c,9c-dimethyl-(3ar,13bc)-3,3a,5,8,11,13b-hexahydro-9H-8t,11t-aethano-furo[3,2-c]isochromeno[7,6-g]isochromen-2,6,13-trion
(3aS)-7,8,12,15syn-tetrahydroxy-5c,9c-dimethyl-(3ar,13bc)-3,3a,5,8,11,13b-hexahydro-9H-8t,11t-ethano-furo[3,2-c]isochromeno[7,6-g]isochromene-2,6,13-trione
Granaticin A
Antibiotic WR-141
Litmomycin
Granatcin-A
Granatomycin C