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6989-24-8

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Basic Information
CAS No.: 6989-24-8
Name: Bayogenin
Article Data: 28
Molecular Structure:
Molecular Structure of 6989-24-8 (Bayogenin)
Formula: C30H48 O5
Molecular Weight: 488.708
Synonyms: Olean-12-en-28-oicacid, 2b,3b,23-trihydroxy- (7CI,8CI); 2b,3b,23a-Trihydroxy-12-oleanen-28-oic acid; Bayogenin; Bayogenine
Density: 1.192g/cm3
Melting Point: >300 °C (decomp)
Boiling Point: 605.956oC at 760 mmHg
Flash Point: 334.295oC
PSA: 97.99000
LogP: 5.17680
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Chemistry

Molecular Structure of Bayogenin (CAS No.6989-24-8):
 
Molecular Formula: C30H48O5 
Molecular Weight: 488.6991
CAS No: 6989-24-8
H bond acceptors: 5
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 97.99 Å2
Index of Refraction: 1.581
Molar Refractivity: 136.624 cm3
Molar Volume: 410.002 cm3
Surface Tension: 53.541 dyne/cm
Density: 1.192 g/cm3
Flash Point: 334.295 °C
Enthalpy of Vaporization: 103.33 kJ/mol
Boiling Point: 605.956 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Systematic Name: (2beta,3beta)-2,3,23-Trihydroxyolean-12-en-28-oic acid  
InChI: InChI=1/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey: RWNHLTKFBKYDOJ-JEERONPWBB
Std. InChI: InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
Std. InChIKey: RWNHLTKFBKYDOJ-JEERONPWSA-N
Product Categories: Pentacyclic Triterpenes

Specification

  Bayogenin (CAS No.6989-24-8), its synonyms are (2beta,3beta)-2,3,23-Trihydroxyolean-12-en-28-oic acid ; Olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2beta,3beta)- .