| Properties | Image |
|---|
| MNX_ID | MNXM105194 |
 |
| reference | chebi:65904 |
| formula | C37H58O8 |
| global charge | 0 |
| mol weight | 630.863 |
| InChIKey | NLXRBHRYKXMKNJ-UHWFYCGOSA-N |
| InChI | InChI=1S/C37H58O8/c1-21(2)10-9-11-23(32(42)45-33-31(41)30(40)27(39)20-43-33)24-14-18-37(8)26-12-13-28-34(4,5)29(44-22(3)38)16-17-35(28,6)25(26)15-19-36(24,37)7/h10,23-24,27-31,33,39-41H,9,11-20H2,1-8H3/t23-,24-,27-,28+,29-,30+,31-,33+,35-,36-,37+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 |
MNX internals
| InChI (mnx) | InChI=1/C37H58O8/c1-21(2)10-9-11-23(32(42)45-33-31(41)30(40)27(39)20-43-33)24-14-18-37(8)26-12-13-28-34(4,5)29(44-22(3)38)16-17-35(28,6)25(26)15-19-36(24,37)7/h10,23-24,27-31,33,39-41H,9,11-20H2,1-8H3/t23-,24-,27-,28+,29-,30+,31-,33+,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:11][C@H:23]([C@H:24]1[CH2:14][CH2:18][C@@:37]2([CH3:8])[C:26]3=[C:25]([CH2:15][CH2:19][C@:36]12[CH3:7])[C@@:35]1([CH3:6])[CH2:17][CH2:16][C@@H:29]([O:44][C:22]([CH3:3])=[O:38])[C:34]([CH3:4])([CH3:5])[C@@H:28]1[CH2:13][CH2:12]3)[C:32](=[O:42])[O:45][C@H:33]1[C@H:31]([OH:41])[C@@H:30]([OH:40])[C@H:27]([OH:39])[CH2:20][O:43]1 |
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