6,6a-Dihydroxy-3,11,13-trimethyl-6,6a,7,8,9,10,10a,11-octahydro-5,11-methanofuro(3,4-d)(3)benzoxonine-1,12(3H,5H)-dione
Basic information
- CAS
166403-10-7- Standard SMILES
CC1OC(=O)C2=C1OC1C(O)C3(O)CCCCC3C(C)(C2=O)C1C- InChIKey
UMVGVJGZMKQXJC-UHFFFAOYSA-N- Molecular formula
- C18H24O6
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15728848
Names & identifiers
- Preferred name
- 6,6a-Dihydroxy-3,11,13-trimethyl-6,6a,7,8,9,10,10a,11-octahydro-5,11-methanofuro(3,4-d)(3)benzoxonine-1,12(3H,5H)-dione
- IUPAC
- 7,8-dihydroxy-1,12,17-trimethyl-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadec-11(15)-ene-14,16-dione
- English name
- 5,11-Methanofuro[3,4-d][3]benzoxonin-1,12(3H,5H)-dione, 6,6a,7,8,9,10,10a,11-octahydro-6,6a-dihydroxy-3,11,13-trimethyl-, [3S-(3R*,5R*,6S*,6aR*,10aR*,11S*,13R*)]- (9CI)
- Molecular formula
- C18H24O6
- Molecular weight
- 336.38
Names & synonyms
DTXSID909371946,6a-Dihydroxy-3,11,13-trimethyl-6,6a,7,8,9,10,10a,11-octahydro-5,11-methanofuro(3,4-d)(3)benzoxonine-1,12(3H,5H)-dione6,6a-Dihydroxy-3,11,13-trimethyl-6,6a,7,8,9,10,10a,11-octahydro-5,11-methanofuro[3,4-d][3]benzoxonine-1,12(3H,5H)-dioneRefChem:1073574DTXCID9013657717,8-dihydroxy-1,12,17-trimethyl-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadec-11(15)-ene-14,16-dione5,11-Methanofuro(3,4-d)(3)benzoxonin-1,12(3H,5H)-dione, 6,6a,7,8,9,10,10a,11-octahydro-6,6a-dihydroxy-3,11,13-trimethyl-, (3R-(3R*,5R*,6S*,6ar*,10ar*,11S*,13R*))-orb2299239Streptonolid A, DihydrotetrodecamycinTN7535BS-1582[3S-(3R*,5R*,6S*,6aR*,10aR*,11S*,13R*)]-6,6a,7,8,9,10,10a,11-octahydro-6,6a-dihydroxy-3,11,13-trimethyl-5,11-methanofuro[3,4-d][3]benzoxonin-1,12(3H,5H)-dione
Show more names
Stroptonolid AStreptonolid A3S-(3R*,5R*,6S*,6aR*,10aR*,11S*,13R*)]-6,6a,7,8,9,10,10a,11-octahydro-6,6a-dihydroxy-3,11,13-trimethyl-5,11-methanofuro[3,4-d][3]benzoxonin-1,12(3H,5H)-dione
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 654
Physicochemical properties
- Boiling point
- 521.2 · 521.2±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane: soluble; DMSO: soluble; Ethanol: soluble; Methanol: soluble
- form
- A solid
- pka
- 13.21 · 13.21±0.70(Predicted)
Chemistry & industry
Applications
UsesDihydrotetrodecamycin is an antibiotic that can be isolated from the fermentation broth of Streptomyces nashvillensis MJ885-mF8. Dihydrotetrodecamycin has MIC values of 50 mg/mL against both Pasteurella piscicida sp. 639 and P. piscicida sp. 6356[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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