| Properties | Image |
|---|
| MNX_ID | MNXM103707 |
 |
| reference | chebi:67621 |
| formula | C23H27ClO8 |
| global charge | 0 |
| mol weight | 466.914 |
| InChIKey | MYEDOZFFLHARPQ-MDJFZDGJSA-N |
| InChI | InChI=1S/C23H27ClO8/c1-6-10(2)7-8-13-9-14-16(24)18(26)21(5)23(29)15(19(27)32-21)17(11(3)12(4)25)31-20(30-13)22(14,23)28/h7-12,20,25,28-29H,6H2,1-5H3/b8-7+/t10-,11?,12?,20?,21+,22?,23?/m0/s1 |
| SMILES | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C4=C(C(C)C(C)O)OC(O1)C2(O)C43O |
MNX internals
| InChI (mnx) | InChI=1/C23H27ClO8/c1-6-10(2)7-8-13-9-14-16(24)18(26)21(5)23(29)15(19(27)32-21)17(11(3)12(4)25)31-20(30-13)22(14,23)28/h7-12,20,25,28-29H,6H2,1-5H3/b8-7+/t10-,11?,12?,20?,21+,22?,23?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C@H:10]([CH3:2])/[CH:7]=[CH:8]/[C:13]1=[CH:9][C:14]2=[C:16]([Cl:24])[C:18](=[O:26])[C@:21]3([CH3:5])[C:23]4([OH:29])[C:15](=[C:17]([CH:11]([CH3:3])[CH:12]([CH3:4])[OH:25])[O:31][CH:20]([C:22]24[OH:28])[O:30]1)[C:19](=[O:27])[O:32]3 |
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