Structure Database (LMSD)
Common Name
Provitamin D7
Systematic Name
Campesta-5,7-dien-3β-ol
Synonyms
- 24R-methyl-5,7-cholestadien-3beta-ol
- 7-dehydrocampesterol
3D model of Provitamin D7
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Bombyx mori
(#7091)
Insecta
(#50557)
7-Dehydrosterols in prothoracic glands of the silkworm,Bombyx mori,
Experientia
Experientia
DOI:
10.1007/BF01940720
synthetic construct
(#32630)
7-Dehydrocampesterol, a New Provitamin D,
J Am Chem Soc, 1942
J Am Chem Soc, 1942
DOI:
10.1021/ja01260a042
String Representations
InChiKey (Click to copy)
ZKQRGSXITBHHPC-CBTBQNHGSA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20-,22+,24-,25+,26?,27+,28-/m1/s1
SMILES (Click to copy)
C12=CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@]12[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
447.03
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.84
Molar Refractivity
124.09
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Updated at
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