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Substance Name: Card-20(22)-enolide, 3-((O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-
RN: 31962-94-4
InChIKey: JMBCGBLJEROJPQ-UHFFFAOYSA-N

Molecular Formula

  • C42-H66-O14

Molecular Weight

  • 794.9694
 
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Names and Synonyms

Synonym

  • EINECS 250-874-4

Systematic Name

  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 31962-94-4

System Generated Number

  • 0031962944

Structure Descriptors

InChI

1S/C42H66O14/c1-20-37(47)31(49-6)18-36(51-20)56-39-22(3)53-35(17-30(39)44)55-38-21(2)52-34(16-29(38)43)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(45)41(5)26(10-12-42(27,41)48)23-13-33(46)50-19-23/h13,20-22,24-32,34-39,43-45,47-48H,7-12,14-19H2,1-6H3

InChIKey

JMBCGBLJEROJPQ-UHFFFAOYSA-N

Smiles

CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.75 (none)   EXP
Water Solubility 0.260 mg/L 25 EST
Vapor Pressure 1.27E-29 mm Hg 25 EST
Henry's Law Constant 1.49E-27 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.