| Properties | Image |
|---|
| MNX_ID | MNXM128106 |
 |
| reference | hmdb:HMDB0030896 |
| formula | C36H60O3 |
| global charge | 0 |
| mol weight | 540.873 |
| InChIKey | UQBFECUQCTWGFC-GZTJUZNOSA-N |
| InChI | InChI=1S/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+ |
| SMILES | CC/C=C/C(C)(O)OCC1(C)C(=O)CCC2(C)C1CCC1(C)C2CCC2C3C(C)C(C)CCC3(C)CCC21C |
MNX internals
| InChI (mnx) | InChI=1/C36H60O3/c1-10-11-17-36(9,38)39-23-33(6)27-15-20-35(8)28(32(27,5)19-16-29(33)37)13-12-26-30-25(3)24(2)14-18-31(30,4)21-22-34(26,35)7/h11,17,24-28,30,38H,10,12-16,18-23H2,1-9H3/b17-11+/t24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:10]/[CH:11]=[CH:17]/[C:36]([CH3:9])([OH:38])[O:39][CH2:23][C:33]1([CH3:6])[CH:27]2[CH2:15][CH2:20][C:35]3([CH3:8])[CH:28]([CH2:13][CH2:12][CH:26]4[CH:30]5[CH:25]([CH3:3])[CH:24]([CH3:2])[CH2:14][CH2:18][C:31]5([CH3:4])[CH2:21][CH2:22][C:34]43[CH3:7])[C:32]2([CH3:5])[CH2:19][CH2:16][C:29]1=[O:37] |
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