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Substance Name: EINECS 257-367-7
RN: 51740-66-0
InChIKey: NWWMTMVMHKTERH-UHFFFAOYSA-N

Molecular Formula

  • C43-H68-O14

Molecular Weight

  • 808.996
 
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Names and Synonyms

Results Name

  • EINECS 257-367-7

Synonym

  • EINECS 257-367-7

Systematic Name

  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-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

  • 51740-66-0

System Generated Number

  • 0051740660

Structure Descriptors

InChI

1S/C43H68O14/c1-21-38(56-36-18-31(45)39(22(2)53-36)57-37-19-32(49-6)40(50-7)23(3)54-37)30(44)17-35(52-21)55-26-10-12-41(4)25(15-26)8-9-28-29(41)16-33(46)42(5)27(11-13-43(28,42)48)24-14-34(47)51-20-24/h14,21-23,25-33,35-40,44-46,48H,8-13,15-20H2,1-7H3

InChIKey

NWWMTMVMHKTERH-UHFFFAOYSA-N

Smiles

O1[C@@H](C)[C@@H](OC)[C@@H](OC)C[C@@H]1O[C@@H]1[C@@H](C)O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](C)O[C@@H](C[C@@H]1O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@@]4(O)CC[C@@H](C5=CC(=O)OC5)[C@@]4(C)[C@@H](O)C[C@@H]3[C@@]2(C)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 0.097 mg/L 25 EST
Vapor Pressure 4.86E-29 mm Hg 25 EST
Henry's Law Constant 4.77E-28 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.61E-10 cm3/molecule-sec 25 EST

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