Basic information
- CAS
147852-78-6- Standard SMILES
CC(C)C1(O)C(O)C2OC23C2(C)CCC4=C(COC4=O)C2CC2OC23C1O- InChIKey
DYVDZVMUDBCZSA-UHFFFAOYSA-N- Molecular formula
- C20H26O7
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.16785316
Names & identifiers
- Preferred name
- Epi-triptolide
- IUPAC
- 5,6,7-trihydroxy-1-methyl-6-propan-2-yl-3,9,15-trioxahexacyclo[10.7.0.02,4.02,8.08,10.013,17]nonadec-13(17)-en-16-one
- English name
- EPI-TRIPTOLIDE
- Molecular formula
- C20H26O7
- Molecular weight
- 378.42
Names & synonyms
EPI-TRIPTOLIDE147852-78-6DTXSID00694524FE657065,6,7-trihydroxy-6-isopropyl-1-methyl-3,9,15-trioxahexacyclo[10.7.0.02,4.02,8.08,10.013,17]nonadec-13(17)-en-16-one9,10,11-Trihydroxy-1b-methyl-10-(propan-2-yl)-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-oneTRIPTOLIDE, EPI-Triheptanoin Impurity 3Bisoxireno[4b,5:8a,9]phenanthro[1,2-c]furan-4(2H)-one, 1b,3,6,6b,7,7a,9,10,11,11a-decahydro-9,10,11-trihydroxy-1b-methyl-10-(1-methylethyl)-, (1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)- (9CI)
Database identifiers
- CAS
147852-78-6- PubChem CID
- 53398656
- DTXSID
DTXSID00694524
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- Boiling point
- 628.1 · 628.1±55.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 13.31 · 13.31±0.70(Predicted)
Chemistry & industry
Suppliers11 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
ETA SCIENTIFIC Co.,Ltd[email protected]
Apin Chemicals Limited (UK)[email protected]
SEQUOIA[email protected]
THREEB-MED[email protected]
CHROMADEX[email protected]
先进技术工业有限公司[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Carbosynth[email protected]
上海皮化工有限公司86 021 58953700 58953706 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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