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CAS 98665-66-8

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Pregn-5-ene-11,12,14,20-tetrol, 3-[(O-6-deoxy-3-O-methyl-β-<span class="text-smallcaps">D</smallcap>-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-<smallcap>D</smallcap>-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-<smallcap>D</span>-ribo-hexopyranosyl)oxy]-, 11-acetate 12-(3-methylbutanoate), (3β,11α,12β,14β)-

Description:
Pregn-5-ene-11,12,14,20-tetrol, 3-[(O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1→4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-, 11-acetate 12-(3-methylbutanoate), with CAS number 98665-66-8, is a complex steroid derivative characterized by multiple hydroxyl groups and glycosidic linkages. This compound features a pregnane backbone, which is typical of steroid structures, and is modified with various sugar moieties, indicating its potential role in biological systems, possibly as a glycosylated hormone or signaling molecule. The presence of acetate and 3-methylbutanoate functional groups suggests that it may exhibit specific pharmacological properties, potentially influencing its solubility and bioactivity. The stereochemistry, denoted by the (3β,11α,12β,14β) configuration, is crucial for its interaction with biological targets. Overall, this compound's intricate structure implies a significant level of biological activity, warranting further investigation into its pharmacodynamics and therapeutic applications.
Formula:C49H80O17
InChI:InChI=1S/C49H80O17/c1-23(2)19-35(52)64-45-43(62-28(7)51)38-32(49(55)18-16-31(24(3)50)48(45,49)9)14-13-29-20-30(15-17-47(29,38)8)63-36-21-33(56-10)41(26(5)59-36)65-37-22-34(57-11)42(27(6)60-37)66-46-40(54)44(58-12)39(53)25(4)61-46/h13,23-27,30-34,36-46,50,53-55H,14-22H2,1-12H3
InChI key:InChIKey=LLIYLAIGJSAESV-UHFFFAOYSA-N
SMILES:O(C(C)=O)C1C2C(C3(O)C(C)(C1OC(CC(C)C)=O)C(C(C)O)CC3)CC=C4C2(C)CCC(OC5CC(OC)C(OC6CC(OC)C(OC7C(O)C(OC)C(O)C(C)O7)C(C)O6)C(C)O5)C4
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