| Properties | Image |
|---|
| MNX_ID | MNXM1174445 |
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| reference | envipathM:...b51ab7c61bf6 |
| formula | C37H68O12 |
| global charge | 0 |
| mol weight | 704.939 |
| InChIKey | ILSPMDUCCATHRV-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H68O12/c1-3-5-18-31(42)33(44)24-35-34(49-35)22-13-7-6-8-14-23-36(45)47-25-28(39)26-48-37(46)32(43)20-12-10-9-11-19-29(40)30(41)21-15-17-27(38)16-4-2/h15,17,27-35,38-44H,3-14,16,18-26H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCCC(O)C(O)CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H68O12/c1-3-5-18-31(42)33(44)24-35-34(49-35)22-13-7-6-8-14-23-36(45)47-25-28(39)26-48-37(46)32(43)20-12-10-9-11-19-29(40)30(41)21-15-17-27(38)16-4-2/h15,17,27-35,38-44H,3-14,16,18-26H2,1-2H3/b17-15?/t27?,28?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:18][CH:31]([CH:33]([CH2:24][CH:35]1[CH:34]([CH2:22][CH2:13][CH2:7][CH2:6][CH2:8][CH2:14][CH2:23][C:36](=[O:45])[O:47][CH2:25][CH:28]([CH2:26][O:48][C:37]([CH:32]([CH2:20][CH2:12][CH2:10][CH2:9][CH2:11][CH2:19][CH:29]([CH:30]([CH2:21][CH:15]=[CH:17][CH:27]([CH2:16][CH2:4][CH3:2])[OH:38])[OH:41])[OH:40])[OH:43])=[O:46])[OH:39])[O:49]1)[OH:44])[OH:42] |
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