| Properties | Image |
|---|
| MNX_ID | MNXM103715 |
 |
| reference | chebi:68935 |
| formula | C41H40O8 |
| global charge | 0 |
| mol weight | 660.763 |
| InChIKey | RGZSPQYXJSDKAN-FWSOMWAYSA-N |
| InChI | InChI=1S/C41H40O8/c42-32-26-33(29-20-10-3-11-21-29)49-41-37(31(28-18-8-2-9-19-28)23-13-5-15-25-35(45)46)39(47)36(40(48)38(32)41)30(27-16-6-1-7-17-27)22-12-4-14-24-34(43)44/h1-3,6-13,16-23,30-31,33,47-48H,4-5,14-15,24-26H2,(H,43,44)(H,45,46)/b22-12+,23-13+ |
| SMILES | O=C(O)CCC/C=C/C(C1=CC=CC=C1)C1=C(O)C2=C(OC(C3=CC=CC=C3)CC2=O)C(C(/C=C/CCCC(=O)O)C2=CC=CC=C2)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H40O8/c42-32-26-33(29-20-10-3-11-21-29)49-41-37(31(28-18-8-2-9-19-28)23-13-5-15-25-35(45)46)39(47)36(40(48)38(32)41)30(27-16-6-1-7-17-27)22-12-4-14-24-34(43)44/h1-3,6-13,16-23,30-31,33,47-48H,4-5,14-15,24-26H2,(H,43,44)(H,45,46)/b22-12+,23-13+/t30?,31?,33? |
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| SMILES (mnx) | [CH:1]1=[CH:6][CH:16]=[C:27]([CH:30](/[CH:22]=[CH:12]/[CH2:4][CH2:14][CH2:24][C:34](=[O:43])[OH:44])[C:36]2=[C:39]([OH:47])[C:37]([CH:31](/[CH:23]=[CH:13]/[CH2:5][CH2:15][CH2:25][C:35](=[O:45])[OH:46])[C:28]3=[CH:18][CH:8]=[CH:2][CH:9]=[CH:19]3)=[C:41]3[C:38](=[C:40]2[OH:48])[C:32](=[O:42])[CH2:26][CH:33]([C:29]2=[CH:20][CH:10]=[CH:3][CH:11]=[CH:21]2)[O:49]3)[CH:17]=[CH:7]1 |
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