| Properties | Image |
|---|
| MNX_ID | MNXM101722 |
 |
| reference | chebi:67952 |
| formula | C36H58O10 |
| global charge | 0 |
| mol weight | 650.85 |
| InChIKey | OEGYWKLSOORPGU-SXLQXSQGSA-N |
| InChI | InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
| SMILES | C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:9][CH2:12][C@:36]2([C:31](=[O:44])[O:46][C@H:30]3[C@H:28]([OH:42])[C@@H:27]([OH:41])[C@H:26]([OH:40])[C@@H:22]([CH2:16][OH:37])[O:45]3)[CH2:14][CH2:13][C@:34]3([CH3:5])[C:20](=[CH:7][CH2:8][C@@H:24]4[C@@:32]5([CH3:3])[CH2:15][C@@H:21]([OH:39])[C@H:29]([OH:43])[C@@:33]([CH3:4])([CH2:17][OH:38])[C@@H:23]5[CH2:10][CH2:11][C@:35]43[CH3:6])[C@@H:25]2[C@H:19]1[CH3:2] |
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