| Properties | Image |
|---|
| MNX_ID | MNXM1371087 |
 |
| reference | seedM:cpd19114 |
| formula | C41H51O18 |
| global charge | -1 |
| mol weight | 831.841 |
| InChIKey | NVPFAZNHCJWHCL-JUEXJKKASA-M |
| InChI | InChI=1S/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-47,49-50,52H,9,11-13H2,1-7H3/p-1/t16-,17-,18-,21+,23-,24-,25+,26+,27+,32+,33-,36+,37-,40+,41-/m1/s1 |
| SMILES | CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@@]2(O[C@H]3C[C@@H](O[C@H]4C[C@@H](O[C@H]5C[C@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)C3=C(C=C4C=C(O)C(C)=C(O)C4=C3O)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C41H52O18/c1-14-22(43)10-20-8-19-9-21-36(53-7)35(48)28(15(2)42)38(50)41(21,39(51)30(19)34(47)29(20)31(14)44)59-26-12-24(33(46)17(4)55-26)57-25-11-23(32(45)16(3)54-25)58-27-13-40(6,52)37(49)18(5)56-27/h8,10,16-18,21,23-27,32-33,36-37,43-47,49-50,52H,9,11-13H2,1-7H3/t16-,17-,18-,21+,23-,24-,25+,26+,27+,32+,33-,36+,37-,40+,41-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:14]1=[C:22]([OH:43])[CH:10]=[C:20]2[CH:8]=[C:19]3[CH2:9][C@H:21]4[C@H:36]([O:53][CH3:7])[C:35](=[O:48])[C:28]([C:15]([CH3:2])=[O:42])=[C:38]([OH:50])[C@@:41]4([O:59][C@H:26]4[CH2:12][C@@H:24]([O:57][C@H:25]5[CH2:11][C@@H:23]([O:58][C@H:27]6[CH2:13][C@:40]([CH3:6])([OH:52])[C@H:37]([OH:49])[C@@H:18]([CH3:5])[O:56]6)[C@@H:32]([OH:45])[C@@H:16]([CH3:3])[O:54]5)[C@H:33]([OH:46])[C@@H:17]([CH3:4])[O:55]4)[C:39](=[O:51])[C:30]3=[C:34]([OH:47])[C:29]2=[C:31]1[OH:44] |
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