| Properties | Image |
|---|
| MNX_ID | MNXM1593758 |
 |
| reference | vmhM:cortlne_3glcur
vmhM:cortlne_3glcur |
| formula | C27H41O11 |
| global charge | -1 |
| mol weight | 541.614 |
| InChIKey | INMJYSGZRBTEOR-NXPVETGOSA-M |
| InChI | InChI=1S/C27H42O11/c1-25-7-5-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)9-12(25)3-4-14-15-6-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/p-1/t12?,13?,14-,15-,17?,18+,19+,20+,21-,22+,24?,25-,26-,27-/m0/s1 |
| SMILES | C[C@]12CCC(OC3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)CC1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C27H42O11/c1-25-7-5-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)9-12(25)3-4-14-15-6-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-15,17-22,24,28,30-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13?,14-,15-,17?,18+,19+,20+,21-,22+,24?,25-,26-,27-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@:25]12[CH2:7][CH2:5][CH:13]([O:37][CH:24]3[C@@H:21]([OH:33])[C@H:19]([OH:31])[C@@H:20]([OH:32])[C@H:22]([C:23]([OH:34])=[O:35])[O:38]3)[CH2:9][CH:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:6][CH2:8][C@@:27]([CH:17]([CH2:11][OH:28])[OH:30])([OH:36])[C@@:26]3([CH3:2])[CH2:10][C:16](=[O:29])[C@@H:18]12 |
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