| Properties | Image |
|---|
| MNX_ID | MNXM109065 |
 |
| reference | chebi:70992 |
| formula | C30H46O9 |
| global charge | 0 |
| mol weight | 550.689 |
| InChIKey | CPFNIKYEDJFRAT-RVPZLBNISA-N |
| InChI | InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1 |
| SMILES | CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]43O)C2)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/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[CH2:7][CH2:9][C@@:28]3([CH3:2])[C@H:17]([CH2:5][CH2:6][C@@H:20]4[C@@H:19]3[CH2:8][CH2:10][C@:29]3([CH3:3])[C@@H:23]([C:16]5=[CH:11][C:22](=[O:32])[O:37][CH2:14]5)[C@@H:21]([OH:31])[CH2:13][C@:30]43[OH:35])[CH2:12]2)[O:38]1 |
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