Basic information
- CAS
66395-02-6- Standard SMILES
C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12- InChIKey
OVEQSZKTJIUNHZ-JDTTZNEISA-N- Molecular formula
- C15H16O2
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.11502975
Overview
CHLORANTHALACTONE A has been reported in Sarcandra glabra with data available.
Names & identifiers
- Preferred name
- Chloranthalactone A
- IUPAC
- (1S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-one
- English name
- Dehydroshizukanolide
- Molecular formula
- C15H16O2
- Molecular weight
- 228.29
Names & synonyms
CHLORANTHALACTONE A66395-02-6(1S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3,7-dien-5-oneDTXSID90318686(1S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo(7.4.0.03,7.010,12)trideca-3,7-dien-5-oneRefChem:918441DTXCID70269809CHEMBL468809orb1992194SCHEMBL29020450OVEQSZKTJIUNHZ-JDTTZNEISA-NSC334031
Show more names
Dehydroshizukanolide(4aS)-4aα,5,5aα,6,6aα,6b-Hexahydro-3,6bβ-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-oneCycloprop[2,3]indeno[5,6-b]furan-2(4H)-one, 4a,5,5a,6,6a,6b-hexahydro-3,6b-dimethyl-5-methylene-, (4aS,5aS,6aR,6bS)-
AKOS040734559NSC-334031T124441(4aS,5aS,6aR,6bS)-3,6b-Dimethyl-5-methylidene-4a,5,5a,6,6a,6b-hexahydrocyclopropa[2,3]indeno[5,6-b]furan-2(4H)-oneInChI=1/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3/t9-,11+,12-,15-/m1/s1
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Melting point
- 60 · 60-62 °C
- Boiling point
- 411.144 · 411.144±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers6 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
南京道斯夫生物科技有限公司16651696448 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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