| Properties | Image |
|---|
| MNX_ID | MNXM1176542 |
 |
| reference | envipathM:...7bf63bf87313 |
| formula | C37H64O10 |
| global charge | 0 |
| mol weight | 668.909 |
| InChIKey | BAACYYNTABUCQJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O10/c1-3-5-7-13-19-29(39)25-26-30(40)20-14-9-11-18-24-35(44)46-31(27-38)28-45-34(43)23-17-12-10-16-22-33(42)37-36(47-37)32(41)21-15-8-6-4-2/h13,15,19,21,25-26,29-33,36-42H,3-12,14,16-18,20,22-24,27-28H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CC(O)CCCCCCC(=O)OC(CO)COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O10/c1-3-5-7-13-19-29(39)25-26-30(40)20-14-9-11-18-24-35(44)46-31(27-38)28-45-34(43)23-17-12-10-16-22-33(42)37-36(47-37)32(41)21-15-8-6-4-2/h13,15,19,21,25-26,29-33,36-42H,3-12,14,16-18,20,22-24,27-28H2,1-2H3/b19-13?,21-15?,26-25?/t29?,30?,31?,32?,33?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:19][CH:29]([CH:25]=[CH:26][CH:30]([CH2:20][CH2:14][CH2:9][CH2:11][CH2:18][CH2:24][C:35](=[O:44])[O:46][CH:31]([CH2:27][OH:38])[CH2:28][O:45][C:34]([CH2:23][CH2:17][CH2:12][CH2:10][CH2:16][CH2:22][CH:33]([CH:37]1[CH:36]([CH:32]([CH:21]=[CH:15][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])[O:47]1)[OH:42])=[O:43])[OH:40])[OH:39] |
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