566-76-7
1,3,5[10]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE
Name
1,3,5[10]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE
Formula
C18 H22 O3
MolWeight
286.369
1Identification
【Name】
1,3,5[10]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE
【CAS】
【MDL】
MFCD00870436
【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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1
【InChIKey】
InChIKey=WPOCIZJTELRQMF-QFXBJFAPSA-N
【SMILES】
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)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]-ESTRATRIENE-3,16ALPHA-DIOL-17-ONE.cml
Quick Release
4-BROMO-2-[METHYL(1-METHYLPIPERIDIN-3-YL)AMINO]BENZALDEHYDE
2,5-DIMETHYL-N-(PYRROLIDIN-2-YLMETHYL)BENZAMIDE
3,5,5-TRIMETHYL-N-(PYRROLIDIN-2-YLMETHYL)HEXANAMIDE
3-(DIMETHYLAMINO)-N-(PYRROLIDIN-2-YLMETHYL)BENZAMIDE
2-(1H-INDOL-3-YL)-N-(PYRROLIDIN-2-YLMETHYL)ACETAMIDE
4-(DIMETHYLAMINO)-N-(PYRROLIDIN-2-YLMETHYL)BENZAMIDE
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ACC Corporation
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