| Properties | Image |
|---|
| MNX_ID | MNXM103760 |
 |
| reference | chebi:70177 |
| formula | C41H48O13 |
| global charge | 0 |
| mol weight | 748.822 |
| InChIKey | XJVVFPZRUWTRKM-HMAJTNGPSA-N |
| InChI | InChI=1S/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8+,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1 |
| SMILES | C/C=C(\C)C(=O)OC[C@@]1(O)C2CC3=C(COC(=O)CCC(=O)OC)C(=O)O[C@@]34[C@@H]3C5=C(C[C@H]4[C@@]2(C)[C@@H]2C[C@@H]21)[C@H]1C[C@H]1[C@]5(C)[C@@H](O)C(=O)/C3=C(/C)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C41H48O13/c1-8-17(2)35(46)53-16-40(49)25-13-24(25)38(4)26(40)14-23-21(15-52-29(43)10-9-28(42)50-6)37(48)54-41(23)27(38)12-20-19-11-22(19)39(5)31(20)32(41)30(33(44)34(39)45)18(3)36(47)51-7/h8,19,22,24-27,32,34,45,49H,9-16H2,1-7H3/b17-8+,30-18-/t19-,22-,24-,25+,26?,27+,32+,34+,38+,39+,40+,41+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:8]=[C:17](\[CH3:2])[C:35](=[O:46])[O:53][CH2:16][C@:40]1([OH:49])[C@H:25]2[CH2:13][C@H:24]2[C@@:38]2([CH3:4])[CH:26]1[CH2:14][C:23]1=[C:21]([CH2:15][O:52][C:29]([CH2:10][CH2:9][C:28](=[O:42])[O:50][CH3:6])=[O:43])[C:37](=[O:48])[O:54][C@:41]13[C@H:27]2[CH2:12][C:20]1=[C:31]2[C@@H:32]3/[C:30](=[C:18](\[CH3:3])[C:36](=[O:47])[O:51][CH3:7])[C:33](=[O:44])[C@H:34]([OH:45])[C@@:39]2([CH3:5])[C@@H:22]2[CH2:11][C@H:19]12 |
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