| Properties | Image |
|---|
| MNX_ID | MNXM105488 |
 |
| reference | hmdb:HMDB0039154 |
| formula | C38H50O6 |
| global charge | 0 |
| mol weight | 602.812 |
| InChIKey | QDKLRKZQSOQWJQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3 |
| SMILES | C=C(C)C(CC=C(C)C)CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)C(C(=O)C3=CC(O)=C(O)C=C3)=C1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h11-12,14,16-17,19,27-28,39-40,42H,7,13,15,18,20-21H2,1-6,8-10H3/t27?,28?,37?,38? |
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| SMILES (mnx) | [CH3:1][C:22]([CH3:2])=[CH:11][CH2:13][CH:27]([CH2:20][C:37]12[CH2:21][CH:28]([CH2:15][CH:12]=[C:23]([CH3:3])[CH3:4])[C:36]([CH3:9])([CH3:10])[C:38]([CH2:18][CH:17]=[C:24]([CH3:5])[CH3:6])([C:34](=[O:43])[C:31]([C:32]([C:26]3=[CH:19][C:30]([OH:40])=[C:29]([OH:39])[CH:16]=[CH:14]3)=[O:41])=[C:33]1[OH:42])[C:35]2=[O:44])[C:25](=[CH2:7])[CH3:8] |
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