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Substance Name: Elephantin
RN: 21899-50-3
InChIKey: HSTUUCOYVIWGLJ-VZXXYCNRSA-N

Molecular Formula

  • C20-H22-O7

Molecular Weight

  • 374.387
 
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Names and Synonyms

Name of Substance

  • Elephantin

Synonyms

  • Elephantin
  • NSC 102817

Systematic Name

  • 2-Butenoic acid, 3-methyl-, 1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro(2,3-f)oxireno(d)oxacycloundecin-8-yl ester, (1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*))-

Registry Numbers

CAS Registry Number

  • 21899-50-3

System Generated Number

  • 0021899503

Structure Descriptors

InChI

1S/C20H22O7/c1-9(2)5-14(21)25-13-7-11-6-12(24-19(11)23)8-20(4)17(27-20)16-15(13)10(3)18(22)26-16/h5-6,12-13,15-17H,3,7-8H2,1-2,4H3/t12-,13-,15-,16+,17-,20+/m1/s1

InChIKey

HSTUUCOYVIWGLJ-VZXXYCNRSA-N

Smiles

O1[C@H]2[C@]1(C)C[C@@H]1OC(C(C[C@H]([C@H]3C(C(O[C@H]23)=O)=C)OC(\C=C(\C)C)=O)=C1)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.05 (none)   EXP
Water Solubility 559 mg/L 25 EST
Vapor Pressure 1.82E-10 mm Hg 25 EST
Henry's Law Constant 5.98E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.92E-11 cm3/molecule-sec 25 EST

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