Basic information
- CAS
80368-31-6- Standard SMILES
C=C1C(=O)OC2C1C(OC(=O)/C(C)=C/C)CC1(C)C(O)CCC(=C)C21- InChIKey
FDDKULNHLFGRDK-UXBLZVDNSA-N- Molecular formula
- C20H26O5
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.17802393
Overview
8beta-Tigloyloxyreynosin has been reported in Liatris laevigata with data available.
Names & identifiers
- Preferred name
- (6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate
- IUPAC
- (6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) (E)-2-methylbut-2-enoate
- English name
- 8beta-Tigloyloxyreynosin
- Molecular formula
- C20H26O5
- Molecular weight
- 346.42
Names & synonyms
80368-31-68beta-TigloyloxyreynosinNSC357287(6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) (E)-2-methylbut-2-enoateDTXSID40420460LIATRIS LAEVIGATA LACTONE #1NSC-357287H639826-Hydroxy-5a-methyl-3,9-dimethylidene-2-oxododecahydronaphtho[1,2-b]furan-4-yl (2E)-2-methylbut-2-enoate8β-TigloyloxyreynosinNSC357287/8beta-Tigloyloxyreynosin2-Butenoic acid, 2-methyl-, dodecahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-2-oxonaphtho[1,2-b]furan-4-yl ester, [3aR-[3aα,4β(E),5aβ,6β,9aα,9bβ]]- (9CI)
Database identifiers
- CAS
80368-31-6- PubChem CID
- 5477809
- DTXSID
DTXSID40420460
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 676
Physicochemical properties
- Boiling point
- 500.6 · 500.6±50.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.60(Predicted)
Chemistry & industry
Applications
Uses8β-Tigloyloxyreynosin is a Sesquiterpenoids product that can be isolated from the roots of Dolomiaea souliei[1].
Suppliers15 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
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上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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