| Properties | Image |
|---|
| MNX_ID | MNXM108735 |
 |
| reference | chebi:66434 |
| formula | C30H36O6 |
| global charge | 0 |
| mol weight | 492.612 |
| InChIKey | LFIGQOMCYZOIQK-XBPZWBIKSA-N |
| InChI | InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-21(14-25(33)29(20)34)26-16-24(32)28-27(36-26)15-23(31)22(30(28)35)12-9-18(3)4/h7,9-10,13-15,26,31,33-35H,6,8,11-12,16H2,1-5H3/b19-10+/t26-/m0/s1 |
| SMILES | CC(C)=CCC/C(C)=C/CC1=C(O)C(O)=CC([C@@H]2CC(=O)C3=C(C=C(O)C(CC=C(C)C)=C3O)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-21(14-25(33)29(20)34)26-16-24(32)28-27(36-26)15-23(31)22(30(28)35)12-9-18(3)4/h7,9-10,13-15,26,31,33-35H,6,8,11-12,16H2,1-5H3/b19-10+/t26-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:17]([CH3:2])=[CH:7][CH2:6][CH2:8]/[C:19]([CH3:5])=[CH:10]/[CH2:11][C:20]1=[CH:13][C:21]([C@@H:26]2[CH2:16][C:24](=[O:32])[C:28]3=[C:27]([CH:15]=[C:23]([OH:31])[C:22]([CH2:12][CH:9]=[C:18]([CH3:3])[CH3:4])=[C:30]3[OH:35])[O:36]2)=[CH:14][C:25]([OH:33])=[C:29]1[OH:34] |
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