| Properties | Image |
|---|
| MNX_ID | MNXM1196007 |
 |
| reference | envipathM:...ca8fc930321e |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | DODNSUKMUAYJJK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-34-46(58)54(62)65-43(42-64-52(61)38-29-23-22-25-33-45(57)53-49(67-53)36-27-18-8-6-4-2)41-63-51(60)37-28-21-17-20-24-32-44(56)47(59)40-50-48(66-50)35-30-31-39-55/h9-10,12-13,18,27,43-46,48-50,53,55-58H,3-8,11,14-17,19-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCCO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-19-26-34-46(58)54(62)65-43(42-64-52(61)38-29-23-22-25-33-45(57)53-49(67-53)36-27-18-8-6-4-2)41-63-51(60)37-28-21-17-20-24-32-44(56)47(59)40-50-48(66-50)35-30-31-39-55/h9-10,12-13,18,27,43-46,48-50,53,55-58H,3-8,11,14-17,19-26,28-42H2,1-2H3/b10-9?,13-12?,27-18?/t43?,44?,45?,46?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:26][CH2:34][CH:46]([C:54](=[O:62])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:21][CH2:17][CH2:20][CH2:24][CH2:32][CH:44]([C:47]([CH2:40][CH:50]1[CH:48]([CH2:35][CH2:30][CH2:31][CH2:39][OH:55])[O:66]1)=[O:59])[OH:56])=[O:60])[CH2:42][O:64][C:52]([CH2:38][CH2:29][CH2:23][CH2:22][CH2:25][CH2:33][CH:45]([CH:53]1[CH:49]([CH2:36][CH:27]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:57])=[O:61])[OH:58] |
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