11-Hydroxycephalotaxine
Basic information
- CAS
49686-55-7- Standard SMILES
COC1=C[C@]23CCCN2C[C@H](O)c2cc4c(cc2[C@@H]3[C@@H]1O)OCO4- InChIKey
SZCHXNLVRKQEGO-XKDXWZMYSA-N- Molecular formula
- C18H21NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.14197277
Overview
11-Hydroxycephalotaxine has been reported in Cephalotaxus fortunei, Cephalotaxus harringtonia, and Cephalotaxus sinensis with data available.
Names & identifiers
- Preferred name
- 11-Hydroxycephalotaxine
- IUPAC
- (2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diol
- English name
- (1S,3aR)-1,5,6,8,9,14bβ-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-1α,9α-diol
- Molecular formula
- C18H21NO5
- Molecular weight
- 331.36
Names & synonyms
11-Hydroxycephalotaxine49686-55-7(2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraene-3,12-diolDTXSID30964343(2S,3S,6R,12R)-4-methoxy-16,18-dioxa-10-azapentacyclo(11.7.0.02,6.06,10.015,19)icosa-1(20),4,13,15(19)-tetraene-3,12-diolCephalotaxine, 11-hydroxy-, (11alpha)-RefChem:907991DTXCID40139204415-HydroxycephalotaxineCephalotaxine, (11.alpha.)-NSC142197NSC166065
Show more names
11α-HydroxycephalotaxineCephalotaxine, 11-hydroxy-, (11α)-(1S,3aR)-1,5,6,8,9,14bβ-Hexahydro-2-methoxy-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine-1α,9α-diol
NSC-142197NSC-166065
Database identifiers
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 537.716 · 537.716±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.471 · 1.471±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.174 · 13.174±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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