| Properties | Image |
|---|
| MNX_ID | MNXM113854 |
 |
| reference | chebi:67301 |
| formula | C36H48O17 |
| global charge | 0 |
| mol weight | 752.763 |
| InChIKey | HAIAPLNAMFKNPR-CMRNRKAMSA-N |
| InChI | InChI=1S/C36H48O17/c1-9-15(2)25(39)50-18-11-19(49-16(3)37)33(27(40)45-7)13-47-22-23(33)32(18)14-48-35(43,28(41)46-8)26(32)30(4,24(22)38)36-20-10-17(31(36,5)53-36)34(42)12-21(44-6)52-29(34)51-20/h9,17-24,26,29,38,42-43H,10-14H2,1-8H3/b15-9+/t17-,18+,19-,20+,21+,22-,23-,24-,26+,29-,30-,31+,32+,33+,34+,35+,36+/m1/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5O[C@H](OC)C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32 |
MNX internals
| InChI (mnx) | InChI=1/C36H48O17/c1-9-15(2)25(39)50-18-11-19(49-16(3)37)33(27(40)45-7)13-47-22-23(33)32(18)14-48-35(43,28(41)46-8)26(32)30(4,24(22)38)36-20-10-17(31(36,5)53-36)34(42)12-21(44-6)52-29(34)51-20/h9,17-24,26,29,38,42-43H,10-14H2,1-8H3/b15-9+/t17-,18+,19-,20+,21+,22-,23-,24-,26+,29-,30-,31+,32+,33+,34+,35+,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:9]=[C:15](\[CH3:2])[C:25](=[O:39])[O:50][C@H:18]1[CH2:11][C@@H:19]([O:49][C:16]([CH3:3])=[O:37])[C@@:33]2([C:27](=[O:40])[O:45][CH3:7])[CH2:13][O:47][C@@H:22]3[C@@H:23]2[C@:32]12[CH2:14][O:48][C@@:35]([C:28](=[O:41])[O:46][CH3:8])([OH:43])[C@H:26]2[C@:30]([CH3:4])([C@@:36]12[C@@H:20]4[CH2:10][C@H:17]([C@:31]1([CH3:5])[O:53]2)[C@@:34]1([OH:42])[CH2:12][C@@H:21]([O:44][CH3:6])[O:52][C@H:29]1[O:51]4)[C@@H:24]3[OH:38] |
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