566-75-6
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-16-ONE
Name
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-16-ONE
Formula
C18 H22 O3
MolWeight
286.369
1Identification
【Name】
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-16-ONE
【CAS】
【MDL】
MFCD00056418
【English Synonyms】
【Formula】
C18 H22 O3
【MolWeight】
286.369
【Inchi】
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,17,19,21H,2,4,6-7,9H2,1H3/t13-,14-,15+,17+,18+/m1/s1
【InChIKey】
InChIKey=KJDGFQJCHFJTRH-YONAWACDSA-N
【SMILES】
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)[C@@H]2O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5(10)-ESTRATRIEN-3,17-BETA-DIOL-16-ONE.cml
Quick Release
2-([(5-AMINO-1,3-DIMETHYL-1H-PYRAZOL-4-YL)METHYL](2-METHYLPROPYL)AMINO)ACETAMIDE
2-[(2-METHYLPROPYL)(([5-(PROPYLAMINO)-1,2,3-THIADIAZOL-4-YL]METHYL))AMINO]ACETAMIDE
1,3-DIMETHYL-4-([METHYL(4-METHYLPHENYL)AMINO]METHYL)-1H-PYRAZOL-5-AMINE
4-([METHYL(4-METHYLPHENYL)AMINO]METHYL)-N-PROPYL-1,2,3-THIADIAZOL-5-AMINE
4-([(2-METHOXYPHENYL)(METHYL)AMINO]METHYL)-1,2,3-THIADIAZOL-5-AMINE
N-ETHYL-4-([(2-METHOXYPHENYL)(METHYL)AMINO]METHYL)-1,2,3-THIADIAZOL-5-AMINE
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