| Properties | Image |
|---|
| MNX_ID | MNXM102348 |
 |
| reference | chebi:71022 |
| formula | C30H46O9 |
| global charge | 0 |
| mol weight | 550.689 |
| InChIKey | DKYDBQQIQAPGMH-XGOVAQEESA-N |
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,28+,29-,30-/m0/s1 |
| SMILES | CO[C@H]1[C@@H](O)[C@H](O[C@@H]2C[C@H]3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]45O)[C@@]3(C)[C@H](O)C2)O[C@@H](C)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,28+,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]1[C@@H:24]([OH:33])[C@@H:26]([O:36][CH3:4])[C@@H:25]([OH:34])[C@H:27]([O:39][C@@H:18]2[CH2:12][C@H:17]3[CH2:5][CH2:6][C@@H:21]4[C@H:20]([CH2:7][CH2:9][C@:28]5([CH3:2])[C@@H:19]([C:16]6=[CH:11][C:23](=[O:32])[O:37][CH2:14]6)[CH2:8][CH2:10][C@:30]45[OH:35])[C@@:29]3([CH3:3])[C@H:22]([OH:31])[CH2:13]2)[O:38]1 |
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