456209

Sigma-Aldrich

7-Dehydrocholesterol

Synonym(s):
(−)-7-Dehydrocholesterol, Provitamin D3, 3β-Hydroxy-5,7-cholestadiene, 5,7-Cholestadien-3β-ol
Empirical Formula (Hill Notation):
C27H44O
CAS Number:
Molecular Weight:
384.64
Beilstein/REAXYS Number:
2224615
EC Number:
MDL number:
Pricing and availability is not currently available.

optical activity

[α]22/D −114°, c = 1 in chloroform

mp

148-152 °C (lit.)

SMILES string

[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

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

InChI key

UCTLRSWJYQTBFZ-DDPQNLDTSA-N

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Biochem/physiol Actions

Down-regulates cholesterol biosynthesis in cultured Smith-Lemi-Opitz syndrome skin fibroblasts.

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

3

A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the...

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