| Properties | Image |
|---|
| MNX_ID | MNXM103991 |
 |
| reference | chebi:69996 |
| formula | C30H50O6 |
| global charge | 0 |
| mol weight | 506.724 |
| InChIKey | KIGVCZYFPXRACV-WRPPEDOYSA-N |
| InChI | InChI=1S/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20-,21+,23+,24+,26+,27-,28+,29-,30+/m1/s1 |
| SMILES | C[C@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@@]5(CCC(=O)[C@@]4(C)CO)C[C@@]35CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20-,21+,23+,24+,26+,27-,28+,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]([CH2:13][C@H:20]([C@@H:24]([C:25]([CH3:2])([CH3:3])[OH:36])[OH:35])[OH:33])[C@H:18]1[CH2:7][CH2:9][C@@:28]2([CH3:6])[C@@H:23]3[C@@H:19]([OH:32])[CH2:14][C@H:21]4[C@:26]([CH3:4])([CH2:16][OH:31])[C:22](=[O:34])[CH2:8][CH2:10][C@@:29]45[CH2:15][C@@:30]35[CH2:12][CH2:11][C@:27]12[CH3:5] |
|