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Basic Information |
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Product Name: | 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE 3-GLUCURONIDE |
CAS: | 3602-09-3 |
English Synonyms: | ETIOCHOLAN-3ALPHA-OL-17-ONE GLUCURONIDE ; 5BETA-ANDROSTAN-3ALPHA-OL-17-ONE 3-GLUCURONIDE ; 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE 3-GLUCURONIDE ; 5BETA-ANDROSTAN-3ALPHA-OL-17-ONE GLUCOSIDURONATE ; ETIOCHOLANOLONE GLUCURONIDE ; ETIOCHOLANOLONE D-GLUCURONIDE |
MDL Number.: | MFCD00067126 |
H bond acceptor: | 8 |
H bond donor: | 4 |
Smile: | C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O |
InChi: | InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1 |
InChiKey: | InChIKey=VFUIRAVTUVCQTF-SDHZCXLISA-N |
Property |
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Safety information |
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WGK Germany: | 3 |
* If the product has intellectual property rights, a license granted is must or contact us.