Seneciphylline N-oxide supplier

Name
Seneciphylline N-oxide
EINECS
CAS No. 38710-26-8
Density
Solubility
Melting Point
Formula C₁₈H₂₃NO₆
Boiling Point
Molecular Weight 349.384
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Seneciphylline N-oxid;Seneciphylline N-oxide;[1,6]Dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, 12-oxide, (3Z,6R,14aR,14bR)-
PSA 102.26000
LogP 1.08430

Seneciphylline N-oxide Specification

The Seneciphylline N-oxide, with CAS registry number 38710-26-8, has the systematic name of (6R,14aR,14bR)-3-ethylidene-6-hydroxy-6-methyl-5-methylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione 12-oxide. And the chemical formula of this chemical is C₁₈H₂₃NO₆.

Physical properties of Seneciphylline N-oxide: (1)ACD/LogP: -0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -0.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.47; (8)ACD/KOC (pH 7.4): 6.98; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.06 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1O[C@@H]3CC[N+]2([O-])C/C=C(/COC(=O)[C@](O)(C(=C)\CC\1=C/C)C)[C@@H]23
(2)InChI: InChI=1/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-,19?/m1/s1
(3)InChIKey: COHUFMBRBUPZPA-KULOWOMIBF
(4)Std. InChI: InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/t14-,15-,18-,19?/m1/s1
(5)Std. InChIKey: COHUFMBRBUPZPA-KULOWOMISA-N

Product Name

Seneciphylline N-oxide

Seneciphylline N-oxide Specification

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