Chemical Identifiers |
- Formula
- C79H119N5O31
- Canonical SMILES
-
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN(C)C)O.C(C(C1C(=C(C(=O)O1)O)O)O)O.C(C(C1C(=C(C(=O)O1)O)O)O)O
- InChI
-
1S/C67H103N5O19.2C6H8O6/c1-42-21-19-17-15-13-11-9-10-12-14-16-18-20-22-54(89-66-63(85)61(62(84)44(3)88-66)70-58(82)41-72(7)8)38-57-60(65(86)69-29-30-71(5)6)56(81)40-67(87,91-57)39-53(79)35-51(77)33-49(75)31-48(74)32-50(76)34-52(78)37-59(83)90-64(42)43(2)23-28-47(73)36-55(80)45-24-26-46(68-4)27-25-45;2*7-1-2(8)5-3(9)4(10)6(11)12-5/h9-22,24-27,42-44,47-49,51-54,56-57,60-64,66,68,73-75,77-79,81,84-85,87H,23,28-41H2,1-8H3,(H,69,86)(H,70,82);2*2,5,7-10H,1H2/b10-9+,13-11+,14-12+,17-15+,18-16+,21-19+,22-20+;;/t42-,43-,44+,47?,48+,49-,51-,52+,53-,54-,56-,57-,60+,61-,62+,63-,64-,66-,67+;2*2-,5+/m000/s1
- InChIKey
-
VUJFLULIGNDMNL-VJVWVGQESA-N
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