Amphoteronolide B supplier | CasNO.106799-07-9

Name
Amphoteronolide B
EINECS
CAS No. 106799-07-9
Article Data3
CAS DataBase
Density 1.208g/cm³
Solubility
Melting Point
Formula C₄₁H₆₂O₁₄
Boiling Point 1039 °C at 760 mmHg
Molecular Weight 778.935
Flash Point 308.4 °C
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Synonyms 14,39-Dioxabicyclo[33.3.1]nonatriacontane,amphoteronolide B deriv.;14,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylicacid, 1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-,[1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E,25E,27E,29E,31E,33R*,35S*,36R*,37S*)]-;Amphotericin B aglycon;[1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E,25E,27E,29E,31E,33R*,35S*,36R*,37S*)]-1,3,5,6,9,11,17,33,37-Nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylicacid;
PSA 254.90000
LogP 1.89350

Amphoteronolide B Specification

The Amphoteronolide B, with CAS registry number 106799-07-9, has the systematic name of (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid. This chemical is isolated from streptomycetes nodusus. And the chemical formula of this chemical is C₄₁H₆₂O₁₄.

Physical properties of Amphoteronolide B: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 14; (4)#H bond donors: 10; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 144.9 Å²; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 203.69 cm³; (9)Molar Volume: 644.3 cm3; (10)Polarizability: 80.75×10^-24cm³; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.208 g/cm³; (13)Flash Point: 308.4 °C; (14)Enthalpy of Vaporization: 172.02 kJ/mol; (15)Boiling Point: 1039 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@@H](C)[C@H](C)[C@H](O)[C@H](C=CC=CC=CC=CC=CC=CC=C[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C1)C[C@H](O)[C@H]2C(=O)O)C
(2)InChI: InChI=1/C41H62O14/c1-26-16-14-12-10-8-6-4-5-7-9-11-13-15-17-29(42)22-36-38(40(51)52)35(48)25-41(53,55-36)24-32(45)21-34(47)33(46)19-18-30(43)20-31(44)23-37(49)54-28(3)27(2)39(26)50/h4-17,26-36,38-39,42-48,50,53H,18-25H2,1-3H3,(H,51,52)/t26-,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,38+,39+,41+/m0/s1
(3)InChIKey: VOPKRGFUUMVSHY-ZQCSYNFZBQ
(4)Std. InChI: InChI=1S/C41H62O14/c1-26-16-14-12-10-8-6-4-5-7-9-11-13-15-17-29(42)22-36-38(40(51)52)35(48)25-41(53,55-36)24-32(45)21-34(47)33(46)19-18-30(43)20-31(44)23-37(49)54-28(3)27(2)39(26)50/h4-17,26-36,38-39,42-48,50,53H,18-25H2,1-3H3,(H,51,52)/t26-,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,38+,39+,41+/m0/s1
(5)Std. InChIKey: VOPKRGFUUMVSHY-ZQCSYNFZSA-N

Product Name

Amphoteronolide B

Amphoteronolide B Specification

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