Patellazole B
Molecular Formula:
C49H77NO12S
InChI: InChI=1/C49H77NO12S/c1-27-21-22-48(12,62-44(56)33(7)35(9)51)46(57)60-43(47(11,58)25-28(2)23-37-26-63-45(50-37)49(13)36(10)61-49)32(6)20-16-19-31(5)42(59-14)41(55)40(54)30(4)18-15-17-29(3)39(53)34(8)38(52)24-27/h15-17,19-20,25-27,29-30,32-36,38,40-43,51-52,54-55,58H,18,21-24H2,1-14H3/b17-15+,20-16+,28-25+,31-19+
InChIKey: InChIKey=YAVOPZRQLVNNOF-UQCAMAKMBB
SMILES: CC1CCC(C(=O)OC(C(C=CC=C(C(C(C(C(CC=CC(C(=O)C(C(C1)O)C)C)C)O)O)OC)C)C)C(C)(C=C(C)CC2=CSC(=N2)C3(C(O3)C)C)O)(C)OC(=O)C(C)C(C)O
Names:
NSC613013
Patellazole B
[(4E,6E,13E)-2-[(E)-5-[2-(2,3-dimethyloxiran-2-yl)-1,3-thiazol-4-yl]-2-hydroxy-4-methyl-pent-3-en-2-yl]-9,10,18-trihydroxy-8-methoxy-3,7,11,15,17,20,23-heptamethyl-16,24-dioxo-1-oxacyclotetracosa-4,6,13-trien-23-yl] 3-hydroxy-2-methyl-butanoate
Registries:
PubChem CID 5459090
PubChem ID 8141989
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