| Properties | Image |
|---|
| MNX_ID | MNXM1185863 |
 |
| reference | envipathM:...9e7256fda58c |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | YEEDHLZZCPILJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-39-53(61)64-44(42-62-51(59)37-29-24-18-21-27-34-46(57)45(56)33-26-20-8-6-4-2)43-63-52(60)38-30-25-19-22-28-36-48-49(65-48)41-50-54(66-50)47(58)35-32-40-55/h12-13,44-50,54-58H,3-11,14-43H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-23-31-39-53(61)64-44(42-62-51(59)37-29-24-18-21-27-34-46(57)45(56)33-26-20-8-6-4-2)43-63-52(60)38-30-25-19-22-28-36-48-49(65-48)41-50-54(66-50)47(58)35-32-40-55/h12-13,44-50,54-58H,3-11,14-43H2,1-2H3/b13-12?/t44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:23][CH2:31][CH2:39][C:53](=[O:61])[O:64][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:29][CH2:24][CH2:18][CH2:21][CH2:27][CH2:34][CH:46]([CH:45]([CH2:33][CH2:26][CH2:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:57])=[O:59])[CH2:43][O:63][C:52]([CH2:38][CH2:30][CH2:25][CH2:19][CH2:22][CH2:28][CH2:36][CH:48]1[CH:49]([CH2:41][CH:50]2[CH:54]([CH:47]([CH2:35][CH2:32][CH2:40][OH:55])[OH:58])[O:66]2)[O:65]1)=[O:60] |
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