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Substance Name: Tachysterol
RN: 115-61-7
UNII: 9SOR58S8QJ
InChIKey: XQFJZHAVTPYDIQ-LETJEVNCSA-N

Molecular Formula

  • C28-H44-O

Molecular Weight

  • 396.6546
 
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Names and Synonyms

Name of Substance

  • Tachysterol

Synonyms

  • EINECS 204-096-7
  • Provitamin D
  • Tachysterin2
  • Tachysterol2
  • UNII-9SOR58S8QJ

Systematic Name

  • (6E,22E)-(3R)-9,10-Secoergosta-5(10),6,8,22-tetraen-3-ol

Registry Numbers

CAS Registry Number

  • 115-61-7

FDA UNII

  • 9SOR58S8QJ

System Generated Number

  • 0000115617

Structure Descriptors

InChI

1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h8-10,12-13,19-20,22,25-27,29H,7,11,14-18H2,1-6H3/b10-9+,13-12+/t20-,22+,25-,26+,27-,28+/m0/s1

InChIKey

XQFJZHAVTPYDIQ-LETJEVNCSA-N

Smiles

CC1=C(C[C@H](CC1)O)/C=C/C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 10.36 (none)   EST
Atmospheric OH Rate Constant 3.82E-10 cm3/molecule-sec 25 EST

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