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Substance Name: Torularhodin
RN: 514-92-1
UNII: M6I3U8GW5W
InChIKey: NESPPCWGYRQEJQ-VATUXEBJSA-N

Molecular Formula

  • C40-H52-O2

Molecular Weight

  • 564.849
 
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Names and Synonyms

Name of Substance

  • Torularhodin

Synonyms

  • EINECS 208-189-3
  • Torularhodin
  • UNII-M6I3U8GW5W

Systematic Name

  • Torularhodin

Registry Numbers

CAS Registry Number

  • 514-92-1

FDA UNII

  • M6I3U8GW5W

System Generated Number

  • 0000514921

Structure Descriptors

InChI

1S/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)/b11-10+,19-12+,20-14+,22-13+,25-15+,29-28+,31-17+,32-18+,33-21+,34-23+,35-24+,37-26+

InChIKey

NESPPCWGYRQEJQ-VATUXEBJSA-N

Smiles

C1CC(C)=C(\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(/C)\C=C\C=C(/C)C(=O)O)C)C)C)C)C(C1)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211 deg C   EXP
log P (octanol-water) 15.23 (none)   EST
Atmospheric OH Rate Constant 6.87E-10 cm3/molecule-sec 25 EST

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