| Properties | Image |
|---|
| MNX_ID | MNXM1172337 |
 |
| reference | envipathM:...80930e70d096 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | BJEVPEXUOWTMJR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(60)66-43(41-64-49(59)39-32-25-21-23-29-36-45(56)44(55)35-28-22-11-8-5-2)42-65-54(63)47(58)37-30-26-27-31-38-48-53(67-48)52(62)51(61)46(57)34-9-6-3/h12-13,15-16,22,28,43-44,46-48,51-53,55,57-58,61-62H,4-11,14,17-21,23-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-50(60)66-43(41-64-49(59)39-32-25-21-23-29-36-45(56)44(55)35-28-22-11-8-5-2)42-65-54(63)47(58)37-30-26-27-31-38-48-53(67-48)52(62)51(61)46(57)34-9-6-3/h12-13,15-16,22,28,43-44,46-48,51-53,55,57-58,61-62H,4-11,14,17-21,23-27,29-42H2,1-3H3/b13-12?,16-15?,28-22?/t43?,44?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:33][CH2:40][C:50](=[O:60])[O:66][CH:43]([CH2:41][O:64][C:49]([CH2:39][CH2:32][CH2:25][CH2:21][CH2:23][CH2:29][CH2:36][C:45]([CH:44]([CH2:35][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:59])[CH2:42][O:65][C:54]([CH:47]([CH2:37][CH2:30][CH2:26][CH2:27][CH2:31][CH2:38][CH:48]1[CH:53]([CH:52]([CH:51]([CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[OH:57])[OH:61])[OH:62])[O:67]1)[OH:58])=[O:63] |
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