| Properties | Image |
|---|
| MNX_ID | MNXM106465 |
 |
| reference | chebi:66675 |
| formula | C37H62O6 |
| global charge | 0 |
| mol weight | 602.897 |
| InChIKey | PHOVCZWDVRTEJJ-SAMWAVPASA-N |
| InChI | InChI=1S/C37H62O6/c1-21(2)22(3)10-11-23(4)24-14-18-37(9)26-12-13-28-34(5,6)29(16-17-35(28,7)25(26)15-19-36(24,37)8)43-33-32(41)31(40)30(39)27(20-38)42-33/h21,23-24,27-33,38-41H,3,10-20H2,1-2,4-9H3/t23-,24-,27-,28+,29+,30-,31+,32-,33+,35-,36-,37+/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C37H62O6/c1-21(2)22(3)10-11-23(4)24-14-18-37(9)26-12-13-28-34(5,6)29(16-17-35(28,7)25(26)15-19-36(24,37)8)43-33-32(41)31(40)30(39)27(20-38)42-33/h21,23-24,27-33,38-41H,3,10-20H2,1-2,4-9H3/t23-,24-,27-,28+,29+,30-,31+,32-,33+,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:21]([CH3:2])[C:22](=[CH2:3])[CH2:10][CH2:11][C@@H:23]([CH3:4])[C@H:24]1[CH2:14][CH2:18][C@@:37]2([CH3:9])[C:26]3=[C:25]([CH2:15][CH2:19][C@:36]12[CH3:8])[C@@:35]1([CH3:7])[CH2:17][CH2:16][C@H:29]([O:43][C@H:33]2[C@H:32]([OH:41])[C@@H:31]([OH:40])[C@H:30]([OH:39])[C@@H:27]([CH2:20][OH:38])[O:42]2)[C:34]([CH3:5])([CH3:6])[C@@H:28]1[CH2:13][CH2:12]3 |
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