| Properties | Image |
|---|
| MNX_ID | MNXM1177223 |
 |
| reference | envipathM:...225a1b1b0867 |
| formula | C37H68O11 |
| global charge | 0 |
| mol weight | 688.94 |
| InChIKey | BZUXPQOHZKZXKI-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H68O11/c1-3-5-7-9-14-19-29(39)30(40)20-15-10-8-11-17-23-35(43)46-26-28(38)27-47-36(44)24-18-13-12-16-21-31(41)37(45)32(42)25-34-33(48-34)22-6-4-2/h9,14,28-34,37-42,45H,3-8,10-13,15-27H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H68O11/c1-3-5-7-9-14-19-29(39)30(40)20-15-10-8-11-17-23-35(43)46-26-28(38)27-47-36(44)24-18-13-12-16-21-31(41)37(45)32(42)25-34-33(48-34)22-6-4-2/h9,14,28-34,37-42,45H,3-8,10-13,15-27H2,1-2H3/b14-9?/t28?,29?,30?,31?,32?,33?,34?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:14][CH2:19][CH:29]([CH:30]([CH2:20][CH2:15][CH2:10][CH2:8][CH2:11][CH2:17][CH2:23][C:35](=[O:43])[O:46][CH2:26][CH:28]([CH2:27][O:47][C:36]([CH2:24][CH2:18][CH2:13][CH2:12][CH2:16][CH2:21][CH:31]([CH:37]([CH:32]([CH2:25][CH:34]1[CH:33]([CH2:22][CH2:6][CH2:4][CH3:2])[O:48]1)[OH:42])[OH:45])[OH:41])=[O:44])[OH:38])[OH:40])[OH:39] |
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