Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-3-{[D-glucopyranosyl-(1->4)-(4xi)-3-O-acetyl-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-D-erythro-hexopyranosyl-(1->4)-(4xi)-2,6-dideoxy-beta-D-erythro-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide

Catalog ID
STL578135
SMILES OC[C@H]1OC(OC2[C@@H](C)OC(C[C@@H]2OC(=O)C)OC2[C@@H](O)CC(O[C@@H]2C)OC2[C@@H](O)C[C@@H](O[C@@H]2C)OC2CC[C@]3(C(C2)CCC2C3CC[C@]3(C2(O)CCC3C2=CC(=O)OC2)C)C)C([C@H]([C@@H]1O)O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C49H76O19 MW 969.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C49H76O19/c1-22-43(66-38-18-33(53)44(23(2)61-38)67-39-19-34(63-25(4)51)45(24(3)62-39)68-46-42(57)41(56)40(55)35(20-50)65-46)32(52)17-37(60-22)64-28-9-12-47(5)27(16-28)7-8-31-30(47)10-13-48(6)29(11-14-49(31,48)58)26-15-36(54)59-21-26/h15,22-24,27-
InChIKey
YFGQJKBUXPKSAW-IJZDHKSQSA-N
Synonyms

(8xi9xi14xi17xi)3((Dglucopyranosyl(1>4)(4xi)3Oacetyl26dideoxyDerythrohexopyranosyl(1>4)(4xi)26dideoxyDerythrohexopyranosyl(1>4)(4xi)26dideoxybetaDerythrohexopyranosyl)oxy)14hydroxycard20(22)enolide
OC(C@H)1OC(OC2(C@@H)(C)OC(C(C@@H)2OC(=O)C)OC2(C@@H)(O)CC(O(C@@H)2C)OC2(C@@H)(O)C(C@@H)(O(C@@H)2C)O(C@H)2CC(C@)3((C@H)(C2)CC(C@@H)2C3CC(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C)C((C@H)((C@@H)1O)O)O

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.