Zonix[佐尼克斯]

147858-26-2

CAS Name

1-(Carboxymethyl)octyl 3-[[6-deoxy-2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-mannopyranosyl]oxy]decanoate mixt. with 1-(carboxymethyl)octyl 3-[(6-deoxy-α-L-mannopyranosyl)oxy]decanoate

Molecular Formula

C₃₂H₅₈O₁₃.C₂₆H₄₈O₉

Other Names and Identifiers

InChI

InChI=1S/C32H58O13.C26H48O9/c1-5-7-9-11-13-15-21(17-23(33)34)43-24(35)18-22(16-14-12-10-8-6-2)44-32-30(28(39)26(37)20(4)42-32)45-31-29(40)27(38)25(36)19(3)41-31;1-4-6-8-10-12-14-19(16-21(27)28)34-22(29)17-20(15-13-11-9-7-5-2)35-26-25(32)24(31)23(30)18(3)33-26/h19-22,25-32,36-40H,5-18H2,1-4H3,(H,33,34);18-20,23-26,30-32H,4-17H2,1-3H3,(H,27,28)/t19-,20-,21?,22?,25-,26-,27+,28+,29+,30+,31-,32-;18-,19?,20?,23-,24+,25+,26-/m00/s1

InChIKey

InChIKey=RIIKDTFYLJJWAM-QVLNVOQLSA-N

SMILES

O(C(CC(OC(CCCCCCC)CC(O)=O)=O)CCCCCCC)[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1.O([C@H]1[C@H](OC(CC(OC(CCCCCCC)CC(O)=O)=O)CCCCCCC)O[C@@H](C)[C@H](O)[C@H]1O)[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2

Canonical SMILES

O=C(O)CC(OC(=O)CC(OC1OC(C)C(O)C(O)C1O)CCCCCCC)CCCCCCC.O=C(O)CC(OC(=O)CC(OC1OC(C)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O)CCCCCCC)CCCCCCC

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

731842-39-0, 850221-95-3