Oxoepistephamiersine supplier

Name
Oxoepistephamiersine
EINECS
CAS No. 51804-68-3
Article Data1
CAS DataBase
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₅NO₇
Boiling Point 603.9 °C at 760 mmHg
Molecular Weight 403.42
Flash Point 319 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Oxoepistephamiersine
PSA 83.53000
LogP 1.28590

Oxoepistephamiersine Specification

The Oxoepistephamiersine, with the CAS registry number 51804-68-3, is also known as (7α,10β)-3,4,7,8-tetramethoxy-17-methyl-8,10-epoxyhasubanan-6,16-dione. This chemical's molecular formula is C₂₁H₂₅NO₇ and molecular weight is 403.42.

Physical properties of Oxoepistephamiersine are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.74; (6)ACD/BCF (pH 7.4): 47.74; (7)ACD/KOC (pH 5.5): 553.84; (8)ACD/KOC (pH 7.4): 553.84; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.53 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 100.82 cm³; (15)Molar Volume: 291.9 cm³; (16)Polarizability: 39.96×10^-24cm³; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 319 °C; (20)Enthalpy of Vaporization: 89.82 kJ/mol; (21)Boiling Point: 603.9 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=O)CC23C14CC(C5=C2C(=C(C=C5)OC)OC)OC4(C(C(=O)C3)OC)OC
(2)Isomeric SMILES: CN1C(=O)CC23[C@]14C[C@H](C5=C2C(=C(C=C5)OC)OC)OC4([C@H](C(=O)C3)OC)OC
(3)InChI: InChI=1S/C21H25NO7/c1-22-15(24)10-19-8-12(23)18(27-4)21(28-5)20(19,22)9-14(29-21)11-6-7-13(25-2)17(26-3)16(11)19/h6-7,14,18H,8-10H2,1-5H3/t14-,18+,19?,20+,21?/m1/s1
(4)InChIKey: UMLCCHVXIGOAFZ-BXPSQMFMSA-N

Product Name

Oxoepistephamiersine

Oxoepistephamiersine Specification

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