| Properties | Image |
|---|
| MNX_ID | MNXM1176119 |
 |
| reference | envipathM:...82224335cdf8 |
| formula | C37H62O11 |
| global charge | 0 |
| mol weight | 682.892 |
| InChIKey | LIDCVGNPXYRZQA-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O11/c1-3-5-19-30-33(46-30)23-34-31(47-34)20-12-8-6-11-18-29(41)37(43)45-25-27(39)24-44-35(42)22-13-9-7-10-17-28(40)36-32(48-36)21-14-16-26(38)15-4-2/h14,16,26,28-34,36,38,40-41H,3-13,15,17-25H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(O)C(=O)OCC(=O)COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O11/c1-3-5-19-30-33(46-30)23-34-31(47-34)20-12-8-6-11-18-29(41)37(43)45-25-27(39)24-44-35(42)22-13-9-7-10-17-28(40)36-32(48-36)21-14-16-26(38)15-4-2/h14,16,26,28-34,36,38,40-41H,3-13,15,17-25H2,1-2H3/b16-14?/t26?,28?,29?,30?,31?,32?,33?,34?,36? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:19][CH:30]1[CH:33]([CH2:23][CH:34]2[CH:31]([CH2:20][CH2:12][CH2:8][CH2:6][CH2:11][CH2:18][CH:29]([C:37](=[O:43])[O:45][CH2:25][C:27]([CH2:24][O:44][C:35]([CH2:22][CH2:13][CH2:9][CH2:7][CH2:10][CH2:17][CH:28]([CH:36]3[CH:32]([CH2:21][CH:14]=[CH:16][CH:26]([CH2:15][CH2:4][CH3:2])[OH:38])[O:48]3)[OH:40])=[O:42])=[O:39])[OH:41])[O:47]2)[O:46]1 |
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