Basic information
- CAS
70578-36-8- Standard SMILES
C=C1[C@H]2C[C@H]2[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12- InChIKey
KCFCNCALMYTQMP-BJEMGHAFSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Overview
shizukanolide has been reported in Chloranthus henryi, Sarcandra glabra, and other organisms with data available.
Names & identifiers
- Preferred name
- Shizukanolide
- IUPAC
- (1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
- English name
- (4aS)-4aα,5,5aα,6,6aα,6b,7,7aβ-Octahydro-3,6bβ-dimethyl-5-methylenecycloprop[2,3]indeno[5,6-b]furan-2(4H)-one
- Molecular formula
- C15H18O2
- Molecular weight
- 230.3
Names & synonyms
Shizukanolide70578-36-8(1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-oneDTXSID50318687(1S,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo(7.4.0.03,7.010,12)tridec-3-en-5-oneRefChem:182748DTXCID80269810KCFCNCALMYTQMP-UHFFFAOYSA-NShizukanolide ACHLORANTHUS JAPONICUS SIEBorb1943597orb1992271
Show more names
(4aS)-4aα,5,5aα,6,6aα,6b,7,7aβ-Octahydro-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,7,7a-octahydro-3,6b-dimethyl-5-methylene-, (4aS,5aS,6aR,6bS,7aS)-
CHEMBL3889973HY-N10912NSC334032AKOS040734482NSC-334032DA-57837CS-0637551T81167
Database identifiers
- CAS
70578-36-8
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 487
Physicochemical properties
- Boiling point
- 381.4 · 381.4±41.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesShizukanolide, a sesquiterpene lactone, can be isolated from Chloranthus japonicus (Chloranthaceae). The dehydro-compound of Shizukanolide, shows moderate antifungal activity[1].
Upstream & downstream products
Upstream raw materials
Suppliers5 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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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