| Properties | Image |
|---|
| MNX_ID | MNXM1198171 |
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| reference | envipathM:...edfa7461337f |
| formula | C37H64O10 |
| global charge | 0 |
| mol weight | 668.909 |
| InChIKey | PHFYVXZQFNHIRI-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O10/c1-2-22-31(40)37(44)32(41)27-34-33(47-34)23-18-14-13-16-19-24-35(42)45-29-30(28-39)46-36(43)25-20-15-11-9-7-5-3-4-6-8-10-12-17-21-26-38/h3-4,8,10,26,30-34,37,39-41,44H,2,5-7,9,11-25,27-29H2,1H3 |
| SMILES | CCCC(O)C(O)C(O)CC1OC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C37H64O10/c1-2-22-31(40)37(44)32(41)27-34-33(47-34)23-18-14-13-16-19-24-35(42)45-29-30(28-39)46-36(43)25-20-15-11-9-7-5-3-4-6-8-10-12-17-21-26-38/h3-4,8,10,26,30-34,37,39-41,44H,2,5-7,9,11-25,27-29H2,1H3/b4-3?,10-8?/t30?,31?,32?,33?,34?,37? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:22][CH:31]([CH:37]([CH:32]([CH2:27][CH:34]1[CH:33]([CH2:23][CH2:18][CH2:14][CH2:13][CH2:16][CH2:19][CH2:24][C:35](=[O:42])[O:45][CH2:29][CH:30]([CH2:28][OH:39])[O:46][C:36]([CH2:25][CH2:20][CH2:15][CH2:11][CH2:9][CH2:7][CH2:5][CH:3]=[CH:4][CH2:6][CH:8]=[CH:10][CH2:12][CH2:17][CH2:21][CH:26]=[O:38])=[O:43])[O:47]1)[OH:41])[OH:44])[OH:40] |
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