| Properties | Image |
|---|
| MNX_ID | MNXM113936 |
 |
| reference | chebi:69110 |
| formula | C29H42O8 |
| global charge | 0 |
| mol weight | 518.647 |
| InChIKey | JQCUJCHQCVDHTF-OAWRJLTLSA-N |
| InChI | InChI=1S/C29H42O8/c1-13-8-20(36-26(34)16(13)12-30)14(2)17-6-7-18-15-9-23-29(37-23)25(33)21(35-5)10-22(32)28(29,4)24(15)19(31)11-27(17,18)3/h14-15,17-21,23-25,30-31,33H,6-12H2,1-5H3/t14-,15-,17+,18-,19-,20+,21-,23+,24+,25-,27+,28+,29-/m0/s1 |
| SMILES | CO[C@H]1CC(=O)[C@]2(C)[C@@H]3[C@@H](C[C@H]4O[C@]42[C@H]1O)[C@@H]1CC[C@H]([C@H](C)[C@H]2CC(C)=C(CO)C(=O)O2)[C@@]1(C)C[C@@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O8/c1-13-8-20(36-26(34)16(13)12-30)14(2)17-6-7-18-15-9-23-29(37-23)25(33)21(35-5)10-22(32)28(29,4)24(15)19(31)11-27(17,18)3/h14-15,17-21,23-25,30-31,33H,6-12H2,1-5H3/t14-,15-,17+,18-,19-,20+,21-,23+,24+,25-,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:16]([CH2:12][OH:30])[C:26](=[O:34])[O:36][C@@H:20]([C@@H:14]([CH3:2])[C@H:17]2[CH2:6][CH2:7][C@H:18]3[C@@H:15]4[CH2:9][C@@H:23]5[C@@:29]6([C@@H:25]([OH:33])[C@@H:21]([O:35][CH3:5])[CH2:10][C:22](=[O:32])[C@:28]6([CH3:4])[C@H:24]4[C@@H:19]([OH:31])[CH2:11][C@:27]23[CH3:3])[O:37]5)[CH2:8]1 |
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