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Basic information
- CAS
77156-24-2- Standard SMILES
CCC(C)(O)C1(O)C(=O)O[C@@H]2CCN3CC=C(COC(=O)C(O)(C(C)C)C(C)OC(=O)C1O)[C@H]23- InChIKey
ZMTPMWQLYFVWSP-YHWJFGDTSA-N- Molecular formula
- C23H35NO10
- Average molar mass
- 485.53 g/mol
- Monoisotopic mass
- 485.22609632
Names & identifiers
- Preferred name
- 3,4,8-Trihydroxy-3-(2-hydroxybutan-2-yl)-7-methyl-8-(propan-2-yl)-3,4,11,13,15,16,16a,16b-octahydro-7H-[1,5,10]trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione
- IUPAC
- (16aR,16bR)-3,4,8-Trihydroxy-3-(2-hydroxybutan-2-yl)-7-methyl-8-(propan-2-yl)-3,4,11,13,15,16,16a,16b-octahydro-7H-[1,5,10]trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione
- English name
- Spiracine
- Molecular formula
- C23H35NO10
- Molecular weight
- 485.53
Names & synonyms
Spiracine7H-[1,5,10]Trioxacyclotetradecino[7,8,9-gh]pyrrolizine-2,5,9(8H)-trione, 3,4,11,13,15,16,16a,16b-octahydro-3,4,8-trihydroxy-3-(1-hydroxy-1-methylpropyl)-7-methyl-8-(1-methylethyl)-, (16aR,16bR)-
Database identifiers
- CAS
77156-24-2- PubChem CID
- 157017
- DTXSID
DTXSID00998413
Properties
Physicochemical properties
- Boiling point
- 634.502 · 634.502±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.381 · 1.381±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.445 · 11.445±0.70(predicted)
- FDA UNII
- 6 Q8HC05G7P · 6Q8HC05G7P
Chemistry & industry
Applications
OccurrenceA pyrrolizidine alkaloid spiracine occurs in Parsonia spiralis Wall.
Suppliers2 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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