| Properties | Image |
|---|
| MNX_ID | MNXM1319231 |
 |
| reference | envipathM:...0b2de99f7b4c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SAMZSDHEOBFXIF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-52(61)65-43(42-64-51(60)37-30-24-17-20-27-34-47-48(66-47)35-28-21-18-25-32-39-55)41-63-50(59)36-29-23-16-19-26-33-45(57)46(58)40-49-54(67-49)53(62)44(56)4-2/h7-8,10-11,21,28,43-49,54-58H,3-6,9,12-20,22-27,29-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(=O)C(O)CC)COC(=O)CCCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-31-38-52(61)65-43(42-64-51(60)37-30-24-17-20-27-34-47-48(66-47)35-28-21-18-25-32-39-55)41-63-50(59)36-29-23-16-19-26-33-45(57)46(58)40-49-54(67-49)53(62)44(56)4-2/h7-8,10-11,21,28,43-49,54-58H,3-6,9,12-20,22-27,29-42H2,1-2H3/b8-7?,11-10?,28-21?/t43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:22][CH2:31][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:29][CH2:23][CH2:16][CH2:19][CH2:26][CH2:33][CH:45]([CH:46]([CH2:40][CH:49]1[CH:54]([C:53]([CH:44]([CH2:4][CH3:2])[OH:56])=[O:62])[O:67]1)[OH:58])[OH:57])=[O:59])[CH2:42][O:64][C:51]([CH2:37][CH2:30][CH2:24][CH2:17][CH2:20][CH2:27][CH2:34][CH:47]1[CH:48]([CH2:35][CH:28]=[CH:21][CH2:18][CH2:25][CH2:32][CH2:39][OH:55])[O:66]1)=[O:60] |
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