| Properties | Image |
MNX_ID | MNXM103216 |
 |
reference | chebi:65498 |
formula | C30H38O5 |
global charge | 0 |
mol weight | 478.629 |
InChIKey | SJBBGMVJNAOUOI-VLURGLOZSA-N |
InChI | InChI=1S/C30H38O5/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-14-24-17-23(12-15-26(24)32)13-16-27(33)30-28(34)18-25(31)19-29(30)35/h7,9,11-12,15,17-19,31-32,34-35H,5-6,8,10,13-14,16H2,1-4H3/b21-9+,22-11+ |
SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(O)C=CC(CCC(=O)C2=C(O)C=C(O)C=C2O)=C1 |
MNX internals
InChI (mnx) | InChI=1/C30H38O5/c1-20(2)7-5-8-21(3)9-6-10-22(4)11-14-24-17-23(12-15-26(24)32)13-16-27(33)30-28(34)18-25(31)19-29(30)35/h7,9,11-12,15,17-19,31-32,34-35H,5-6,8,10,13-14,16H2,1-4H3/b21-9+,22-11+ |
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SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:7][CH2:5][CH2:8]/[C:21]([CH3:3])=[CH:9]/[CH2:6][CH2:10]/[C:22]([CH3:4])=[CH:11]/[CH2:14][C:24]1=[C:26]([OH:32])[CH:15]=[CH:12][C:23]([CH2:13][CH2:16][C:27]([C:30]2=[C:28]([OH:34])[CH:18]=[C:25]([OH:31])[CH:19]=[C:29]2[OH:35])=[O:33])=[CH:17]1 |
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