Vitas-M small molecule compound
3,5,14-trihydroxy-19-oxido-19-oxocard-20(22)-enolide
Catalog ID
STK997856
SMILES OC1CCC2(C(C1)(O)CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)C(=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 C23H31O7 MW 419.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32O7/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27)/p-1InChIKey
XJIILRFVONGQOG-UHFFFAOYSA-MSynonyms
3514trihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carboxylate
3514trihydroxy19oxido19oxocard20(22)enolide
CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C(=O)(O))O
furan2ylmethanaminium(3S5S8R9S10S13R14S17R)3514trihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carboxylate
InChI=1SC23H32O7c120631617(23(2029)9515(20)131018(25)301213)4721(28)1114(24)2822(1621)19(26)27h101417242829H291112H21H3(H2627)p1
O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C(=O)(O)(NH3+)Cc1ccco1
OC1CCC2(C(C1)(O)CCC1C2CCC2(C1(O)CCC2C1=CC(=O)OC1)C)C(=O)(O)
ZINC000013548090
ZINC000254760379
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.