CAS
80-97-7 Purity
95%+
80-97-7 Purity
95%+
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3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
CAS
82543-16-6
Catalog Number
ACM82543166
Category
Steroidal Compounds
Molecular Weight
330.46
Molecular Formula
C21H30O3
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Specification
Synonyms
6,7,15,16-Dimethylene-3,5-dihydroxyandrostan-17-one; 6,7,15,16 dimethylen 3,5,dihydroxy androstan 17 dion; 6b,7b,15b,16b-Dimethylene-3b,5b-dihydroxyandrostan-17-one; 3,5-DIHYDROXY-6,7:15,16-DIMETHYLENE-5-ANDROSTAN-17-ONE;
IUPAC Name
3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one
Canonical SMILES
CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O
InChI Key
GWUFXQIQXPASJU-VJWUOOCFSA-N
Boiling Point
476.6ºC at 760 mmHg
Melting Point
205-207ºC
Flash Point
256.2ºC
Density
1.205g/cm³
Appearance
white solid
EC Number
617-347-4
Exact Mass
330.21900
What is the molecular formula of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The molecular formula is C21H30O3.
What is the molecular weight of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The molecular weight is 330.5 g/mol.
What is the IUPAC name of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The IUPAC name is (1R,2R,4R,5R,7S,10R,11S,14S,16S,18S,19S)-5,7-dihydroxy-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecan-15-one.
What is the InChI of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The InChI is InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3/t10-,11+,12-,13-,14-,15+,16+,17-,19-,20+,21+/m0/s1.
What is the InChIKey of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The InChIKey is GWUFXQIQXPASJU-VJWUOOCFSA-N.
What is the canonical SMILES of 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one?
The canonical SMILES is CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5=O)C)O)O.
How many hydrogen bond donor count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?
It has 2 hydrogen bond donor count.
How many hydrogen bond acceptor count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?
It has 3 hydrogen bond acceptor count.
How many rotatable bond count does 3b,5-Dihydroxy-6b,7b:15b,16b-dimethylene-5b-androstan-17-one have?
It has 0 rotatable bond count.
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