CAS No.128585-96-6,pingbeimine C Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128585-96-6
Name:	pingbeimine C

Formula:	C₂₇H₄₃NO₆
Molecular Weight:	477.6334
Synonyms:	(-)-Pingbeimine C;Pingbeimine C;
Density:	1.34g/cm³
Boiling Point:	668.2 °C at 760 mmHg
Flash Point:	357.9 °C
PSA:	121.46000
LogP:	0.88070

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Specification

The Pingbeimine C with the CAS number 128585-96-6 is also called Cevan-6-one,3,7,14,16,20-pentahydroxy-, (3b,5a,7a,16b)- (9CI). The systematic name is (3β,5α,7α,14xi,16β)-3,7,14,16,20-pentahydroxycevan-6-one. Its molecular formula is C₂₇H₄₃NO₆. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 7; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 66.46 Å²; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 126.26 cm³; (9)Molar Volume: 355.6 cm³; (10)Polarizability: 50.05×10^-24cm³; (11)Surface Tension: 67 dyne/cm; (12)Enthalpy of Vaporization: 112.41 kJ/mol; (13)Vapour Pressure: 1.03×10^-20mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1[C@@H](O)[C@@H]3[C@@H]([C@]2(CC[C@H](O)C[C@H]12)C)C[C@@H]4C3(O)C[C@H](O)[C@H]5[C@H]4CN6[C@H]([C@]5(O)C)CC[C@H](C)C6
(2)InChI: InChI=1/C27H43NO6/c1-13-4-5-20-26(3,33)21-15(12-28(20)11-13)16-9-17-22(27(16,34)10-19(21)30)24(32)23(31)18-8-14(29)6-7-25(17,18)2/h13-22,24,29-30,32-34H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18+,19-,20-,21+,22-,24-,25+,26+,27?/m0/s1
(3)InChIKey: GNDFCKYSZIORHG-UPVWELEFBY