| Properties | Image |
|---|
| MNX_ID | MNXM104029 |
 |
| reference | chebi:3865 |
| formula | C32H52O9 |
| global charge | 0 |
| mol weight | 580.759 |
| InChIKey | CDJCQFDFKCXDKX-ZCYOMUHCSA-N |
| InChI | InChI=1S/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1 |
| SMILES | C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@]5(O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C32H52O9/c1-16-5-10-32(39-14-16)17(2)25-23(41-32)12-21-19-6-9-31(37)13-18(40-28-27(36)26(35)22(33)15-38-28)11-24(34)30(31,4)20(19)7-8-29(21,25)3/h16-28,33-37H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28-,29-,30-,31-,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]1[CH2:5][CH2:10][C@@:32]2([C@@H:17]([CH3:2])[C@H:25]3[C@H:23]([CH2:12][C@H:21]4[C@@H:19]5[CH2:6][CH2:9][C@:31]6([OH:37])[CH2:13][C@@H:18]([O:40][C@H:28]7[C@H:27]([OH:36])[C@@H:26]([OH:35])[C@@H:22]([OH:33])[CH2:15][O:38]7)[CH2:11][C@@H:24]([OH:34])[C@:30]6([CH3:4])[C@H:20]5[CH2:7][CH2:8][C@@:29]43[CH3:3])[O:41]2)[O:39][CH2:14]1 |
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