20-Methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol
Completing data — refresh the page later to see the latest
Basic information
- CAS
54370-90-0- Standard SMILES
COc1cc2c3c4c1Oc1c(c(O)cc5c1C(Cc1ccc(cc1)Oc1cc(ccc1O)CC3N(C)CC2)N(C)CC5)O4- InChIKey
IYGYFDDOHBCDFF-UHFFFAOYSA-N- Molecular formula
- C35H34N2O6
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.24168681
Names & identifiers
- Preferred name
- 20-Methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol
- IUPAC
- 20-methoxy-15,30-dimethyl-7,23,33-trioxa-15,30-diazaoctacyclo[19.9.3.23,6.18,12.114,18.024,32.027,31.022,34]heptatriaconta-3(37),4,6(36),8,10,12(35),18,20,22(34),24,26,31-dodecaene-9,25-diol
- English name
- Cocsulinine
- Molecular formula
- C35H34N2O6
- Molecular weight
- 578.65
Names & synonyms
NSC25169654370-90-0DTXSID40330373NSC-2516961~6~-Methoxy-1~2~,1~9~-dimethyl-1~1~,1~2~,1~3~,1~4~,1~8~,1~9~,1~10~,1~11~-octahydro-4-oxa-1(1,8)-[1,4]dioxino[2,3-h:5,6-h']diisoquinolina-3(1,3),5(1,4)-dibenzenacyclohexaphane-1~13~,3~4~-diolCocsulinine16H-22,25-Epoxy-1,24:6,9-dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-12,27-diol, 3,4,4a,5,16a,17,18,19-octahydro-21-methoxy-4,17-dimethyl-, (4aS,16aS)-
Database identifiers
- CAS
54370-90-0- PubChem CID
- 429245
- DTXSID
DTXSID40330373- Nikkaji
- J2.389.948E
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 978
Physicochemical properties
- Melting point
- 260 · 260-263 °C
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- pka
- 8.75 · 8.75±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…