| Properties | Image |
|---|
| MNX_ID | MNXM1129506 |
 |
| reference | chebi:176310 |
| formula | C42H70O12 |
| global charge | 0 |
| mol weight | 767.01 |
| InChIKey | QOMBXPYXWGTFNR-KRPFXEAISA-N |
| InChI | InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12-/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1 |
| SMILES | CC(C)=CC/C=C(/C)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/b21-12-/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:11][CH2:10]/[CH:12]=[C:21](/[CH3:3])[C@H:23]1[CH2:13][CH2:16][C@:41]2([CH3:8])[C@@H:29]1[C@H:24]([OH:44])[CH2:17][C@@H:27]1[C@@:40]3([CH3:7])[CH2:15][CH2:14][C@H:28]([OH:45])[C:39]([CH3:5])([CH3:6])[C@@H:36]3[C@@H:25]([O:52][C@H:38]3[C@H:35]([O:54][C@H:37]4[C@H:34]([OH:50])[C@H:32]([OH:48])[C@@H:30]([OH:46])[C@H:22]([CH3:4])[O:51]4)[C@@H:33]([OH:49])[C@H:31]([OH:47])[C@@H:26]([CH2:19][OH:43])[O:53]3)[CH2:18][C@:42]12[CH3:9] |
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