Pingpeimine A
Basic information
- CAS
82841-67-6- Standard SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H]([C@@H](O)C[C@@]3(O)[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H]13)[C@]2(C)O- InChIKey
IDFMBIWPULRZOJ-LPMWXLNZSA-N- Molecular formula
- C27H45NO5
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.32977354
Names & identifiers
- Preferred name
- Pingpeimine A
- IUPAC
- (1S,2S,6S,9S,10S,11R,12S,14R,15R,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,12,14,17,20-pentol
- English name
- Cevane-3,6,14,16,20-pentol, (3β,5α,6α,16β)-
- Molecular formula
- C27H45NO5
- Molecular weight
- 463.65
Names & synonyms
Pingpeimine A82841-67-6(1S,2S,6S,9S,10S,11R,12S,14R,15R,17S,18S,20S,23R,24S)-6,10,23-Trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,12,14,17,20-pentolCevane-3,6,14,16,20-pentolPingbeimine Aorb1684133DTXSID601002944TN2350AKOS0407607825alpha-Cevane-3beta,6alpha,14,16beta,20-pentol(3β,5α,6α,16β)-Cevane-3,6,14,16,20-pentolCevane-3,6,14,16,20-pentol, (3β,5α,6α,16β)-
Show more names
Cevane-3,6,14,16,20-pentol, (3β,5α,6α,16β)- USP/EP/BP(3S,4aS,5S,6aR,6bR,8S,8aR,9S,9aS,12S,15aS,15bS,16aS,16bR)-Docosahydro-9,12,16b-trimethylbenzo[7,8]fluoreno[2,1-b]quinolizine-3,5,6b,8,9(7H)-pentolBenzo[7,8]fluoreno[2,1-b]quinolizine-3,5,6b,8,9(7H)-pentol, docosahydro-9,12,16b-trimethyl-, (3S,4aS,5S,6aR,6bR,8S,8aR,9S,9aS,12S,15aS,15bS,16aS,16bR)-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 794
Physicochemical properties
- Boiling point
- 632.9 · 632.9±55.0 °C(Predicted)
- Density
- 1.29 · 1.29
- pka
- 14.21 · 14.21±0.70(Predicted)
Chemistry & industry
Applications
UsesPingpeimine A is a derivative of Peimine (P218375), a steroidal alkaloid compound extracted from the Fritillaria species of medicinal plants.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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