| Properties | Image |
|---|
| MNX_ID | MNXM101873 |
 |
| reference | chebi:66348 |
| formula | C38H52O8 |
| global charge | 0 |
| mol weight | 636.826 |
| InChIKey | MQPOOTZZZKJBBJ-LJGZSNSNSA-N |
| InChI | InChI=1S/C38H52O8/c1-20(2)22-13-16-38(33(43)44)18-17-35(5)23(28(22)38)10-12-27-36(35,6)15-14-26-34(3,4)30(29(31(40)41)37(26,27)7)46-32(42)21-9-11-24(39)25(19-21)45-8/h9,11,19,22-23,26-30,39H,1,10,12-18H2,2-8H3,(H,40,41)(H,43,44)/t22-,23+,26-,27-,28+,29+,30-,35+,36+,37-,38-/m0/s1 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)O)[C@H](OC(=O)C6=CC=C(O)C(OC)=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C38H52O8/c1-20(2)22-13-16-38(33(43)44)18-17-35(5)23(28(22)38)10-12-27-36(35,6)15-14-26-34(3,4)30(29(31(40)41)37(26,27)7)46-32(42)21-9-11-24(39)25(19-21)45-8/h9,11,19,22-23,26-30,39H,1,10,12-18H2,2-8H3,(H,40,41)(H,43,44)/t22-,23+,26-,27-,28+,29+,30-,35+,36+,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:20]([CH3:2])[C@@H:22]1[CH2:13][CH2:16][C@:38]2([C:33](=[O:43])[OH:44])[CH2:18][CH2:17][C@:35]3([CH3:5])[C@H:23]([CH2:10][CH2:12][C@H:27]4[C@@:36]3([CH3:6])[CH2:15][CH2:14][C@H:26]3[C:34]([CH3:3])([CH3:4])[C@@H:30]([O:46][C:32]([C:21]5=[CH:19][C:25]([O:45][CH3:8])=[C:24]([OH:39])[CH:11]=[CH:9]5)=[O:42])[C@H:29]([C:31](=[O:40])[OH:41])[C@@:37]34[CH3:7])[C@@H:28]12 |
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