4,4-dimethyl cholest-5-en-3-one

4,4-dimethyl cholest-5-en-3-one

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4,4-dimethyl cholest-5-en-3-one
Category Others
Catalog number BBF-05059
CAS 2220-42-0
Molecular Weight 412.69
Molecular Formula C29H48O

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Specification

Synonyms 30-Norlanost-5-ene-3-one; Cholest-5-en-3-one, 4,4-dimethyl-
IUPAC Name (8S,9S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4(C)C)C)C
InChI InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h14,19-24H,8-13,15-18H2,1-7H3/t20-,21+,22-,23+,24+,28-,29-/m1/s1
InChI Key UKRMXWMCDFUMQY-KOVCEZANSA-N

Properties

Boiling Point 490.2±14.0°C (Predicted)
Melting Point 176-177°C
Density 0.97±0.1 g/cm3 (Predicted)

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L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
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Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
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