| Properties | Image |
|---|
| MNX_ID | MNXM1368177 |
 |
| reference | seedM:cpd35012 |
| formula | C36H62O8 |
| global charge | 0 |
| mol weight | 622.884 |
| InChIKey | FVIZARNDLVOMSU-VIMLXLKTSA-N |
| InChI | InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25-,26-,27-,28+,29-,30+,31-,33-,34+,35+,36?/m0/s1 |
| SMILES | CC(C)=CCCC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C36H62O8/c1-20(2)10-9-14-36(8,44-31-30(42)29(41)28(40)23(19-37)43-31)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(39)32(3,4)24(33)12-17-34(25,35)6/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25-,26-,27-,28+,29-,30+,31-,33-,34+,35+,36?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:14][C:36]([CH3:8])([C@H:21]1[CH2:11][CH2:16][C@:35]2([CH3:7])[C@@H:27]1[C@H:22]([OH:38])[CH2:18][C@H:25]1[C@@:33]3([CH3:5])[CH2:15][CH2:13][C@H:26]([OH:39])[C:32]([CH3:3])([CH3:4])[C@@H:24]3[CH2:12][CH2:17][C@:34]12[CH3:6])[O:44][C@H:31]1[C@H:30]([OH:42])[C@@H:29]([OH:41])[C@H:28]([OH:40])[C@@H:23]([CH2:19][OH:37])[O:43]1 |
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