| Properties | Image |
|---|
| MNX_ID | MNXM1198367 |
 |
| reference | envipathM:...1afba18e1c7a |
| formula | C37H64O12 |
| global charge | 0 |
| mol weight | 700.907 |
| InChIKey | XAVOPUAYGTUEQG-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O12/c1-2-3-4-7-12-17-28-29(47-28)18-13-8-5-10-15-20-33(41)45-24-26(39)25-46-34(42)21-16-11-6-9-14-19-30-31(48-30)22-32-37(49-32)36(44)35(43)27(40)23-38/h7,12,26-32,35-40,43-44H,2-6,8-11,13-25H2,1H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C37H64O12/c1-2-3-4-7-12-17-28-29(47-28)18-13-8-5-10-15-20-33(41)45-24-26(39)25-46-34(42)21-16-11-6-9-14-19-30-31(48-30)22-32-37(49-32)36(44)35(43)27(40)23-38/h7,12,26-32,35-40,43-44H,2-6,8-11,13-25H2,1H3/b12-7?/t26?,27?,28?,29?,30?,31?,32?,35?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:7]=[CH:12][CH2:17][CH:28]1[CH:29]([CH2:18][CH2:13][CH2:8][CH2:5][CH2:10][CH2:15][CH2:20][C:33](=[O:41])[O:45][CH2:24][CH:26]([CH2:25][O:46][C:34]([CH2:21][CH2:16][CH2:11][CH2:6][CH2:9][CH2:14][CH2:19][CH:30]2[CH:31]([CH2:22][CH:32]3[CH:37]([CH:36]([CH:35]([CH:27]([CH2:23][OH:38])[OH:40])[OH:43])[OH:44])[O:49]3)[O:48]2)=[O:42])[OH:39])[O:47]1 |
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