Basic information
- CAS
90826-58-7- Standard SMILES
CCC[C@H]1[C@H](CCC)[C@@]2(OC(=O)C3=C2CCC=C3)[C@]12OC(=O)C1=C2CCC=C1- InChIKey
LSDFCPDLBLFHAT-UWXQAFAOSA-N- Molecular formula
- C24H28O4
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19875937
Overview
CID 343166 has been reported in Angelica glauca with data available.
Names & identifiers
- Preferred name
- E,E'-3,3':8,8'-Diligustilide
- English name
- Angelicolide
- Molecular formula
- C24H28O4
- Molecular weight
- 380.48
Names & synonyms
NSC382182E,E'-3,3':8,8'-Diligustilideorb1684999TMA2544DTXSID701101050E,E'-3.3',8.8'-diligustilideAKOS040760095NSC-382182CS-0032635rel-(1R,1a(2)a(2)R,3a(2)R,4a(2)R)-6,6a(2)a(2),7,7a(2)a(2)-Tetrahydro-3a(2),4a(2)-dipropyldispiro[isobenzofuran-1(3H),1a(2)-cyclobutane-2a(2),1a(2)a(2)(3a(2)a(2)H)-isobenzofuran]-3,3a(2)a(2)-dioneNSC 382182Angelicolide
Show more names
Dispiro[isobenzofuran-1(3H),1'-cyclobutane-2',1''(3''H)-isobenzofuran]-3,3''-dione, 6,6'',7,7''-tetrahydro-3',4'-dipropyl-, (1R,1''R,3'R,4'R)-rel-
Database identifiers
- CAS
90826-58-7- PubChem CID
- 343166
- DTXSID
DTXSID701101050
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- Boiling point
- 663.4 · 663.4±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesAngelicolide (NSC 382182) is a Phenols product that can be isolated from the herbs of Schisandra propinqua[1].
Suppliers11 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海如吉生物科技发展有限公司021-69955236-807 13918189704 · [email protected]
上海跃腾生物技术有限公司021-36031160 13311776681 · [email protected]
上海哲研生物科技有限公司18017610038 · [email protected]
成都格利普生物科技有限公司028-87075086 13350802083 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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