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7-Dehydrocholesterol

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Catalog Number CI-GU-0126
Product Name 7-Dehydrocholesterol
CAS 434-16-2
Structure
Synonyms 7,8-Didehydrocholesterol;Cholesta-5,7-dien-3-beta-ol
IUPAC Name (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight 384.64 g/mol
Molecular Formula C27H44O
InChI 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
Boiling Point 451.27 °C
Melting Point 148-152 °C
Purity 95%
Density 0.97 g/mL
Appearance Solid
Highest Usage In Residency Products 0.005
Highest Usage In Rinsing Products 0.01
Isomeric SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C
pKa 14.91±0.70
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Verification code