| Properties | Image |
|---|
| MNX_ID | MNXM102419 |
 |
| reference | chebi:69864 |
| formula | C34H47ClO11 |
| global charge | 0 |
| mol weight | 667.192 |
| InChIKey | RNFBKZKYPCIMDW-NFWHYXGOSA-N |
| InChI | InChI=1S/C34H47ClO11/c1-9-19(3)30(39)45-25-11-12-33(41,17-35)34(18-43-22(6)36)27(44-23(7)37)13-21(5)32(8,29(25)34)15-26(24-14-28(38)42-16-24)46-31(40)20(4)10-2/h9-10,14,21,25-27,29,41H,11-13,15-18H2,1-8H3/b19-9+,20-10+/t21-,25-,26+,27+,29-,32+,33+,34-/m1/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC[C@]2(O)CCl)C1=CC(=O)OC1 |
MNX internals
| InChI (mnx) | InChI=1/C34H47ClO11/c1-9-19(3)30(39)45-25-11-12-33(41,17-35)34(18-43-22(6)36)27(44-23(7)37)13-21(5)32(8,29(25)34)15-26(24-14-28(38)42-16-24)46-31(40)20(4)10-2/h9-10,14,21,25-27,29,41H,11-13,15-18H2,1-8H3/b19-9+,20-10+/t21-,25-,26+,27+,29-,32+,33+,34-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:9]=[C:19](\[CH3:3])[C:30](=[O:39])[O:45][C@@H:25]1[CH2:11][CH2:12][C@@:33]([CH2:17][Cl:35])([OH:41])[C@:34]2([CH2:18][O:43][C:22]([CH3:6])=[O:36])[C@@H:27]([O:44][C:23]([CH3:7])=[O:37])[CH2:13][C@@H:21]([CH3:5])[C@:32]([CH3:8])([CH2:15][C@@H:26]([C:24]3=[CH:14][C:28](=[O:38])[O:42][CH2:16]3)[O:46][C:31](/[C:20]([CH3:4])=[CH:10]/[CH3:2])=[O:40])[C@@H:29]12 |
|