| Properties | Image |
|---|
| MNX_ID | MNXM105224 |
 |
| reference | chebi:232480 |
| formula | C38H61O10 |
| global charge | -1 |
| mol weight | 677.896 |
| InChIKey | VAULMUOCCMYLIA-SQBLQFOUSA-M |
| InChI | InChI=1S/C38H62O10/c1-19(2)20(3)35(7)15-16-37(9)23-11-12-26-34(5,6)31(48-33-29(43)28(42)27(41)25(18-39)47-33)24(46-21(4)40)17-36(26,8)22(23)13-14-38(37,10)30(35)32(44)45/h19-20,24-31,33,39,41-43H,11-18H2,1-10H3,(H,44,45)/p-1/t20-,24-,25-,26+,27-,28+,29-,30-,31+,33+,35-,36-,37-,38+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CC[C@](C)([C@H](C)C(C)C)[C@@H](C(=O)[O-])[C@]1(C)CC3 |
MNX internals
| InChI (mnx) | InChI=1/C38H62O10/c1-19(2)20(3)35(7)15-16-37(9)23-11-12-26-34(5,6)31(48-33-29(43)28(42)27(41)25(18-39)47-33)24(46-21(4)40)17-36(26,8)22(23)13-14-38(37,10)30(35)32(44)45/h19-20,24-31,33,39,41-43H,11-18H2,1-10H3,(H,44,45)/t20-,24-,25-,26+,27-,28+,29-,30-,31+,33+,35-,36-,37-,38+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C@@H:20]([CH3:3])[C@@:35]1([CH3:7])[CH2:15][CH2:16][C@:37]2([CH3:9])[C:23]3=[C:22]([CH2:13][CH2:14][C@@:38]2([CH3:10])[C@@H:30]1[C:32](=[O:44])[OH:45])[C@@:36]1([CH3:8])[CH2:17][C@@H:24]([O:46][C:21]([CH3:4])=[O:40])[C@H:31]([O:48][C@H:33]2[C@H:29]([OH:43])[C@@H:28]([OH:42])[C@H:27]([OH:41])[C@@H:25]([CH2:18][OH:39])[O:47]2)[C:34]([CH3:5])([CH3:6])[C@@H:26]1[CH2:12][CH2:11]3 |
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