| Properties | Image |
|---|
| MNX_ID | MNXM1180940 |
 |
| reference | envipathM:...bc87bc0eca04 |
| formula | C27H42O9 |
| global charge | 0 |
| mol weight | 510.624 |
| InChIKey | YMJPAZPEEZLENX-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H42O9/c1-13-24(33)20(30)11-23(35-13)36-14-4-6-25(2)16-10-22(32)26(3)15(21(31)12-28)5-7-27(26,34)17(16)9-19(29)18(25)8-14/h13-20,22-23,28-30,32,34H,4-12H2,1-3H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C(=O)CO)CCC23O)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C27H42O9/c1-13-24(33)20(30)11-23(35-13)36-14-4-6-25(2)16-10-22(32)26(3)15(21(31)12-28)5-7-27(26,34)17(16)9-19(29)18(25)8-14/h13-20,22-23,28-30,32,34H,4-12H2,1-3H3/t13?,14?,15?,16?,17?,18?,19?,20?,22?,23?,25?,26?,27? |
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| SMILES (mnx) | [CH3:1][CH:13]1[C:24](=[O:33])[CH:20]([OH:30])[CH2:11][CH:23]([O:36][CH:14]2[CH2:4][CH2:6][C:25]3([CH3:2])[CH:16]4[CH2:10][CH:22]([OH:32])[C:26]5([CH3:3])[CH:15]([C:21]([CH2:12][OH:28])=[O:31])[CH2:5][CH2:7][C:27]5([OH:34])[CH:17]4[CH2:9][CH:19]([OH:29])[CH:18]3[CH2:8]2)[O:35]1 |
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