| Properties | Image |
|---|
| MNX_ID | MNXM1197867 |
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| reference | envipathM:...37fd2bf63dac |
| formula | C37H64O12 |
| global charge | 0 |
| mol weight | 700.907 |
| InChIKey | VBWDWDULNXVBNO-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O12/c1-2-3-17-29-32(47-29)22-33-30(48-33)18-11-5-4-6-13-20-34(42)45-24-27(40)25-46-35(43)21-14-8-10-16-28(41)36(44)37-31(49-37)19-12-7-9-15-26(39)23-38/h7,12,26-33,36-41,44H,2-6,8-11,13-25H2,1H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCC(O)C(O)C1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C37H64O12/c1-2-3-17-29-32(47-29)22-33-30(48-33)18-11-5-4-6-13-20-34(42)45-24-27(40)25-46-35(43)21-14-8-10-16-28(41)36(44)37-31(49-37)19-12-7-9-15-26(39)23-38/h7,12,26-33,36-41,44H,2-6,8-11,13-25H2,1H3/b12-7?/t26?,27?,28?,29?,30?,31?,32?,33?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:17][CH:29]1[CH:32]([CH2:22][CH:33]2[CH:30]([CH2:18][CH2:11][CH2:5][CH2:4][CH2:6][CH2:13][CH2:20][C:34](=[O:42])[O:45][CH2:24][CH:27]([CH2:25][O:46][C:35]([CH2:21][CH2:14][CH2:8][CH2:10][CH2:16][CH:28]([CH:36]([CH:37]3[CH:31]([CH2:19][CH:12]=[CH:7][CH2:9][CH2:15][CH:26]([CH2:23][OH:38])[OH:39])[O:49]3)[OH:44])[OH:41])=[O:43])[OH:40])[O:48]2)[O:47]1 |
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