| Properties | Image |
|---|
| MNX_ID | MNXM107682 |
 |
| reference | chebi:70040 |
| formula | C38H52O10 |
| global charge | 0 |
| mol weight | 668.824 |
| InChIKey | QOGRHXMXZZVQKH-ZLQPSLIDSA-N |
| InChI | InChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19?,20-,21-,22-,23+,26+,29-,30-,31-,32-,33-,36+,37+,38+/m0/s1 |
| SMILES | CCCCC[C@@H]1O[C@H]2C3=C(C(=O)[C@@H]4O[C@@]45C[C@H](O)C(C)(C)O[C@@H]35)[C@@H]1[C@H]1[C@H](CCCCC)OC=C3[C@@H]4OC(C)(C)[C@@H](O)C[C@@]45O[C@H]5C(=O)[C@@]312 |
MNX internals
| InChI (mnx) | InChI=1/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19?,20-,21-,22-,23+,26+,29-,30-,31-,32-,33-,36+,37+,38+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH:19]1[C@@H:23]2[C:24]3=[C:25]([C@H:30]4[C@:37]5([CH2:16][C@H:22]([OH:40])[C:35]([CH3:5])([CH3:6])[O:46]4)[C@H:32]([C:27]3=[O:41])[O:47]5)[C@@H:31]([C@:38]34[C:18](=[CH:17][O:43][C@@H:20]([CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[C@H:26]23)[C@H:29]2[C@:36]3([CH2:15][C@H:21]([OH:39])[C:34]([CH3:3])([CH3:4])[O:45]2)[C@H:33]([C:28]4=[O:42])[O:48]3)[O:44]1 |
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