| Properties | Image |
|---|
| MNX_ID | MNXM108170 |
 |
| reference | chebi:69152 |
| formula | C38H62O11 |
| global charge | 0 |
| mol weight | 694.903 |
| InChIKey | UTJMKVZEGKMOAS-GOOAQDMLSA-N |
| InChI | InChI=1S/C38H62O11/c1-21(10-13-25(41)18-23(3)27(42)19-26-22(2)12-15-30(43)36(26,5)6)11-14-29-37(7,8)31(16-17-38(29,9)49-24(4)40)48-35-34(46)33(45)32(44)28(20-39)47-35/h10,12,18,25-29,31-35,39,41-42,44-46H,11,13-17,19-20H2,1-9H3/b21-10+,23-18+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,35+,38+/m1/s1 |
| SMILES | CC(=O)O[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]1CC/C(C)=C/C[C@@H](O)/C=C(\C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C38H62O11/c1-21(10-13-25(41)18-23(3)27(42)19-26-22(2)12-15-30(43)36(26,5)6)11-14-29-37(7,8)31(16-17-38(29,9)49-24(4)40)48-35-34(46)33(45)32(44)28(20-39)47-35/h10,12,18,25-29,31-35,39,41-42,44-46H,11,13-17,19-20H2,1-9H3/b21-10+,23-18+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,35+,38+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:21](=[CH:10]\[CH2:13][C@H:25](/[CH:18]=[C:23](\[CH3:3])[C@H:27]([CH2:19][C@@H:26]1[C:22]([CH3:2])=[CH:12][CH2:15][C:30](=[O:43])[C:36]1([CH3:5])[CH3:6])[OH:42])[OH:41])[CH2:11][CH2:14][C@H:29]1[C:37]([CH3:7])([CH3:8])[C@@H:31]([O:48][C@H:35]2[C@H:34]([OH:46])[C@@H:33]([OH:45])[C@@H:32]([OH:44])[C@@H:28]([CH2:20][OH:39])[O:47]2)[CH2:16][CH2:17][C@:38]1([CH3:9])[O:49][C:24]([CH3:4])=[O:40] |
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