| Properties | Image |
|---|
| MNX_ID | MNXM1189563 |
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| reference | envipathM:...d87d85cd95b9 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YAZOPBXKMNJMER-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-2-30-44(57)31-20-12-7-5-3-4-6-8-16-26-38-54(62)65-45(43-64-53(61)37-25-18-10-14-22-33-48-49(66-48)34-23-15-11-19-28-39-55)42-63-52(60)36-24-17-9-13-21-32-46(58)47(59)41-51-50(67-51)35-27-29-40-56/h5,7,15,20,23,31,39,44-51,56-59H,2-4,6,8-14,16-19,21-22,24-30,32-38,40-43H2,1H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCCO)COC(=O)CCCCCCCC1OC1CC=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-2-30-44(57)31-20-12-7-5-3-4-6-8-16-26-38-54(62)65-45(43-64-53(61)37-25-18-10-14-22-33-48-49(66-48)34-23-15-11-19-28-39-55)42-63-52(60)36-24-17-9-13-21-32-46(58)47(59)41-51-50(67-51)35-27-29-40-56/h5,7,15,20,23,31,39,44-51,56-59H,2-4,6,8-14,16-19,21-22,24-30,32-38,40-43H2,1H3/b7-5?,23-15?,31-20?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:30][CH:44]([CH:31]=[CH:20][CH2:12][CH:7]=[CH:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:16][CH2:26][CH2:38][C:54](=[O:62])[O:65][CH:45]([CH2:42][O:63][C:52]([CH2:36][CH2:24][CH2:17][CH2:9][CH2:13][CH2:21][CH2:32][CH:46]([CH:47]([CH2:41][CH:51]1[CH:50]([CH2:35][CH2:27][CH2:29][CH2:40][OH:56])[O:67]1)[OH:59])[OH:58])=[O:60])[CH2:43][O:64][C:53]([CH2:37][CH2:25][CH2:18][CH2:10][CH2:14][CH2:22][CH2:33][CH:48]1[CH:49]([CH2:34][CH:23]=[CH:15][CH2:11][CH2:19][CH2:28][CH:39]=[O:55])[O:66]1)=[O:61])[OH:57] |
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