CAS: 38-26-6 - Holothurin A

Fórmula:C₅₄H₈₆O₂₇S·Na

InChI:InChI=1S/C54H86O27S.Na/c1-22-39(76-45-38(64)41(33(59)26(20-56)74-45)77-44-37(63)40(70-9)32(58)25(19-55)73-44)35(61)36(62)43(72-22)78-42-34(60)27(81-82(67,68)69)21-71-46(42)75-30-13-15-50(6)24-18-29(57)54-47(65)80-52(8,31-12-14-48(2,3)79-31)53(54,66)17-16-51(54,7)23(24)10-11-28(50)49(30,4)5;/h18,22-23,25-46,55-64,66H,10-17,19-21H2,1-9H3,(H,67,68,69);/t22-,23-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46+,50-,51+,52+,53+,54-;/m1./s1

Chave InChI:InChIKey=FJCHIEZSNQGYMV-VOFJYVFSSA-N

SMILES:[Na].O=C1OC(C)(C2OC(C)(C)CC2)C3(O)CCC4(C)C5C(=CC(O)C134)C6(C)CCC(OC7OCC(OS(=O)(=O)O)C(O)C7OC8OC(C)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(OC)C%10O)C9O)C(O)C8O)C(C)(C)C6CC5

Sinónimos:
Holothurin A
1H,3H-Naphth[2′,1′:4,5]indeno[1,7a-c]furan, lanost-9(11)-en-18-oic acid deriv.
Lanost-9(11)-en-18-oic acid, 22,25-epoxy-12,17,20-trihydroxy-3-[(O-3-O-methyl-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-, γ-lactone, monosodium salt, (3β,12α,22S)-