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Substance Name: Allopregnane-3beta-20alpha-diol
RN: 566-56-3
UNII: 26UE8C57W8
InChIKey: YWYQTGBBEZQBGO-ZVPCKFNKSA-N

Molecular Formula

  • C21-H36-O2

Molecular Weight

  • 320.513
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3beta-20alpha-diol

Synonyms

  • EINECS 209-296-8
  • UNII-26UE8C57W8

Systematic Name

  • 5-alpha-Pregnane-3-beta,20-alpha-diol

Registry Numbers

CAS Registry Number

  • 566-56-3

FDA UNII

  • 26UE8C57W8

System Generated Number

  • 0000566563

Structure Descriptors

InChI

1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

YWYQTGBBEZQBGO-ZVPCKFNKSA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@@H]3[C@@](CC[C@@H](C3)O)(C)[C@@H]2C1)[C@@H](O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 218.5 deg C   EXP
log P (octanol-water) 4.890 (none)   EST
Atmospheric OH Rate Constant 4.66E-11 cm3/molecule-sec 25 EST

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