| Properties | Image |
|---|
| MNX_ID | MNXM1170884 |
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| reference | envipathM:...24a6ccf0dc8e |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | SBIWCSDDEDGGSM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-14-23-32-48-49(65-48)33-24-15-12-17-26-35-52(59)62-41-45(64-54(61)37-28-20-19-22-30-44(56)39-38-43(55)29-21-11-8-5-2)42-63-53(60)36-27-18-13-16-25-34-50-51(66-50)40-47(58)46(57)31-9-6-3/h14,21,23,29,38-39,43,45-46,48-51,55,57H,4-13,15-20,22,24-28,30-37,40-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC)OC(=O)CCCCCCC(=O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-14-23-32-48-49(65-48)33-24-15-12-17-26-35-52(59)62-41-45(64-54(61)37-28-20-19-22-30-44(56)39-38-43(55)29-21-11-8-5-2)42-63-53(60)36-27-18-13-16-25-34-50-51(66-50)40-47(58)46(57)31-9-6-3/h14,21,23,29,38-39,43,45-46,48-51,55,57H,4-13,15-20,22,24-28,30-37,40-42H2,1-3H3/b23-14?,29-21?,39-38?/t43?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:14]=[CH:23][CH2:32][CH:48]1[CH:49]([CH2:33][CH2:24][CH2:15][CH2:12][CH2:17][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH2:41][CH:45]([CH2:42][O:63][C:53]([CH2:36][CH2:27][CH2:18][CH2:13][CH2:16][CH2:25][CH2:34][CH:50]2[CH:51]([CH2:40][C:47]([CH:46]([CH2:31][CH2:9][CH2:6][CH3:3])[OH:57])=[O:58])[O:66]2)=[O:60])[O:64][C:54]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:22][CH2:30][C:44]([CH:39]=[CH:38][CH:43]([CH:29]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:61])[O:65]1 |
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