Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 257-368-2
RN: 51740-69-3
InChIKey: TYDWQEDMABFJDJ-UHFFFAOYSA-N

Molecular Formula

  • C44-H68-O15

Molecular Weight

  • 837.006
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • EINECS 257-368-2

Synonym

  • EINECS 257-368-2

Systematic Name

  • Card-20(22)-enolide, 12-(acetyloxy)-3-((O-2,6-dideoxy-4-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)-14-hydroxy-,(3beta,5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 51740-69-3

System Generated Number

  • 0051740693

Structure Descriptors

InChI

1S/C44H68O15/c1-21-39(51-7)31(46)17-37(53-21)58-41-23(3)55-38(19-33(41)48)59-40-22(2)54-36(18-32(40)47)57-27-10-12-42(5)26(15-27)8-9-29-30(42)16-34(56-24(4)45)43(6)28(11-13-44(29,43)50)25-14-35(49)52-20-25/h14,21-23,26-34,36-41,46-48,50H,8-13,15-20H2,1-7H3

InChIKey

TYDWQEDMABFJDJ-UHFFFAOYSA-N

Smiles

O1[C@@H](C[C@@H]([C@@H]([C@@H]1C)OC)O)O[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](OC(=O)C)C[C@@H]3[C@@]2(C)CC1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.87 (none)   EXP
Water Solubility 0.015 mg/L 25 EST
Vapor Pressure 5.64E-30 mm Hg 25 EST
Henry's Law Constant 9.71E-29 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.47E-10 cm3/molecule-sec 25 EST

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