| Properties | Image |
|---|
| MNX_ID | MNXM105430 |
 |
| reference | chebi:67499 |
| formula | C47H74O19 |
| global charge | 0 |
| mol weight | 943.09 |
| InChIKey | CGHIFJOGGKUIFS-SPTOROIVSA-N |
| InChI | InChI=1S/C47H74O19/c1-42(2)14-15-47(41(60)66-39-32(55)30(53)29(52)23(18-48)62-39)21(16-42)20-8-9-25-44(5)12-11-27(43(3,4)24(44)10-13-45(25,6)46(20,7)17-26(47)50)63-40-34(57)35(33(56)36(65-40)37(58)59)64-38-31(54)28(51)22(49)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47+/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C47H74O19/c1-42(2)14-15-47(41(60)66-39-32(55)30(53)29(52)23(18-48)62-39)21(16-42)20-8-9-25-44(5)12-11-27(43(3,4)24(44)10-13-45(25,6)46(20,7)17-26(47)50)63-40-34(57)35(33(56)36(65-40)37(58)59)64-38-31(54)28(51)22(49)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32+,33-,34+,35-,36-,38-,39-,40+,44-,45+,46+,47+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:42]1([CH3:2])[CH2:14][CH2:15][C@@:47]2([C:41](=[O:60])[O:66][C@H:39]3[C@H:32]([OH:55])[C@@H:30]([OH:53])[C@H:29]([OH:52])[C@@H:23]([CH2:18][OH:48])[O:62]3)[C@@H:21]([CH2:16]1)[C:20]1=[CH:8][CH2:9][C@@H:25]3[C@@:44]4([CH3:5])[CH2:12][CH2:11][C@H:27]([O:63][C@H:40]5[C@H:34]([OH:57])[C@@H:35]([O:64][C@H:38]6[C@H:31]([OH:54])[C@@H:28]([OH:51])[C@@H:22]([OH:49])[CH2:19][O:61]6)[C@H:33]([OH:56])[C@@H:36]([C:37](=[O:58])[OH:59])[O:65]5)[C:43]([CH3:3])([CH3:4])[C@@H:24]4[CH2:10][CH2:13][C@@:45]3([CH3:6])[C@:46]1([CH3:7])[CH2:17][C@H:26]2[OH:50] |
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