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Substance Name: Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one
RN: 302-91-0
UNII: A30U7U312E
InChIKey: AODPIQQILQLWGS-FDSHTENPSA-N

Molecular Formula

  • C21-H34-O5

Molecular Weight

  • 366.495
 
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Names and Synonyms

Name of Substance

  • Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one
  • Allotetrahydrocortisol

Synonyms

  • 3alpha,5alpha-Tetrahydrocortisol
  • 5alpha-Tetrahydrocortisol
  • allo-3alpha-Tetrahydrocortisol
  • Allocortisol, tetrahydro-
  • Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one
  • Allotetrahydrocompound F
  • Allotetrahydrocortisol
  • alpha-THF
  • ATHF
  • Compound F, allotetrahydro-
  • Cortisol, allotetrahydro-
  • EINECS 206-131-1
  • Kendall's compound C
  • NSC 86469
  • Reichstein's substance C
  • Tetrahydroallocortisol
  • UNII-A30U7U312E
  • Wintersteiner's compound D

Systematic Names

  • 3-alpha,11-beta,17-alpha,21-Tetrahydroxy-5-alpha-pregnan-20-one
  • 5alpha-Pregnan-20-one, 3alpha,11beta,17,21-tetrahydroxy- (8CI)
  • Pregnan-20-one, 3,11,17,21-tetrahydroxy-, (3alpha,5alpha,11beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 302-91-0

FDA UNII

  • A30U7U312E

System Generated Number

  • 0000302910

Structure Descriptors

InChI

1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1

InChIKey

AODPIQQILQLWGS-FDSHTENPSA-N

Smiles

C1[C@@]2([C@@H](CC[C@@]2(C(=O)CO)O)[C@@H]2CC[C@@H]3[C@@](CC[C@H](C3)O)(C)[C@@H]2[C@H]1O)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 244.5 deg C   EXP
log P (octanol-water) 1.920 (none)   EST
Atmospheric OH Rate Constant 4.93E-11 cm3/molecule-sec 25 EST

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