| Properties | Image |
|---|
| MNX_ID | MNXM1138117 |
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| reference | envipathM:...0054b07ef7db |
| formula | C37H62O8 |
| global charge | 0 |
| mol weight | 634.895 |
| InChIKey | XFYSKYVLOMXUMI-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O8/c1-3-5-7-16-21-30(39)22-17-12-9-8-10-14-20-26-37(41)43-31(28-38)29-42-36(40)25-19-15-11-13-18-24-33-35(45-33)27-34-32(44-34)23-6-4-2/h16-17,21-22,31-35,38H,3-15,18-20,23-29H2,1-2H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O8/c1-3-5-7-16-21-30(39)22-17-12-9-8-10-14-20-26-37(41)43-31(28-38)29-42-36(40)25-19-15-11-13-18-24-33-35(45-33)27-34-32(44-34)23-6-4-2/h16-17,21-22,31-35,38H,3-15,18-20,23-29H2,1-2H3/b21-16?,22-17?/t31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:21][C:30]([CH:22]=[CH:17][CH2:12][CH2:9][CH2:8][CH2:10][CH2:14][CH2:20][CH2:26][C:37](=[O:41])[O:43][CH:31]([CH2:28][OH:38])[CH2:29][O:42][C:36]([CH2:25][CH2:19][CH2:15][CH2:11][CH2:13][CH2:18][CH2:24][CH:33]1[CH:35]([CH2:27][CH:34]2[CH:32]([CH2:23][CH2:6][CH2:4][CH3:2])[O:44]2)[O:45]1)=[O:40])=[O:39] |
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