| Properties | Image |
|---|
| MNX_ID | MNXM108811 |
 |
| reference | chebi:69785 |
| formula | C33H38O9 |
| global charge | 0 |
| mol weight | 578.658 |
| InChIKey | UEHIWILSQZCXQY-LWKKLXHHSA-N |
| InChI | InChI=1S/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/m1/s1 |
| SMILES | COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C(CO)=C5C[C@H]5[C@H](COC(C)=O)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:12](=[C:24]1\[C@H:26]2[C:25]3=[C:16]([CH2:8][C@H:23]4[C@@:31]5([CH3:3])[C@@H:19]6[CH2:7][C@@H:15]6[C@@H:18]([CH2:11][O:41][C:13]([CH3:2])=[O:35])[C@@H:21]5[CH2:9][C:22]5=[C:17]([CH2:10][OH:34])[C:30](=[O:39])[O:42][C@@:33]542)[C@H:14]2[CH2:6][C@H:20]2[C@:32]3([CH3:4])[C@@H:28]([OH:37])[C:27]1=[O:36])[C:29](=[O:38])[O:40][CH3:5] |
|