Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 7-Dehydrocholesterol
RN: 434-16-2
UNII: BK1IU07GKF
InChIKey: UCTLRSWJYQTBFZ-DDPQNLDTSA-N

Note

  • Main provitamin in skin that is converted by sunlight to cholecalciferol (vitamin D3).

Molecular Formula

  • C27-H44-O

Molecular Weight

  • 384.6436
 

Classification Codes

  • Growth Substances
  • Micronutrients
  • Provitamins
  • Tumor Data
  • Vitamins
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • 7-Dehydrocholesterol

Name of Substance

  • 7-Dehydrocholesterol
  • Cholesta-5,7-dien-3-ol

Synonyms

  • (3-beta)-Cholesta-5,7-dien-3-ol
  • (3beta)-Cholesta-5,7-dien-3-ol
  • 5,7-Cholestadien-3-beta-ol
  • 5,7-Cholestandien-3beta-ol
  • 7,8-Didehydrocholesterol
  • 7-Dehydrocholesterin
  • 7-Dehydrocholesterol
  • Caswell No. 902E
  • Cholesterol, 7-dehydro-
  • Dehydrocholesterin
  • Dehydrocholesterin [German]
  • Dehydrocholesterol
  • delta(sup 5,7)-Cholesterol
  • delta(sup 7)-Cholesterol
  • delta5,7-Cholesterol
  • delta7-Cholesterol
  • EC 207-100-5
  • EINECS 207-100-5
  • EPA Pesticide Chemical Code 208700
  • NSC 18159
  • Provitamin D(sub 3)
  • Provitamin D3
  • UNII-BK1IU07GKF

Systematic Names

  • 7,8-Didehydrocholesterol
  • Cholesta-5,7-dien-3-beta-ol
  • Cholesta-5,7-dien-3-ol, (3-beta)- (9CI)
  • Cholesta-5,7-dien-3-ol, (3beta)-
  • Cholesta-5,7-dien-3beta-ol (8CI)

Registry Numbers

CAS Registry Number

  • 434-16-2

FDA UNII

  • BK1IU07GKF

System Generated Number

  • 0000434162

Structure Descriptors

InChI

1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1

InChIKey

UCTLRSWJYQTBFZ-DDPQNLDTSA-N

Smiles

C1=2[C@@H]3[C@@]([C@@H]([C@@H](CCCC(C)C)C)CC3)(CC[C@@H]1[C@@]1(C(C[C@@H](O)CC1)=CC2)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 150.5 deg C   EXP
log P (octanol-water) 8.650 (none)   EST
Atmospheric OH Rate Constant 2.97E-10 cm3/molecule-sec 25 EST

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