| Properties | Image |
|---|
| MNX_ID | MNXM1186281 |
 |
| reference | envipathM:...0dde62f0ebf5 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | QPIMWVAPAKAGQE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-21-30-42(56)31-22-13-9-8-10-16-28-38-50(60)64-43(41-63-49(59)37-27-19-18-23-32-44(57)52-45(65-52)34-24-15-12-20-29-39-55)40-62-48(58)36-26-17-11-14-25-35-47-54(67-47)51(61)53-46(66-53)33-6-4-2/h15,21-22,24,30-31,42-43,45-47,51-56,61H,3-14,16-20,23,25-29,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)CCCCCCC(=O)C1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-21-30-42(56)31-22-13-9-8-10-16-28-38-50(60)64-43(41-63-49(59)37-27-19-18-23-32-44(57)52-45(65-52)34-24-15-12-20-29-39-55)40-62-48(58)36-26-17-11-14-25-35-47-54(67-47)51(61)53-46(66-53)33-6-4-2/h15,21-22,24,30-31,42-43,45-47,51-56,61H,3-14,16-20,23,25-29,32-41H2,1-2H3/b24-15?,30-21?,31-22?/t42?,43?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:21]=[CH:30][CH:42]([CH:31]=[CH:22][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH2:28][CH2:38][C:50](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:48]([CH2:36][CH2:26][CH2:17][CH2:11][CH2:14][CH2:25][CH2:35][CH:47]1[CH:54]([CH:51]([CH:53]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:61])[O:67]1)=[O:58])[CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:19][CH2:18][CH2:23][CH2:32][C:44]([CH:52]1[CH:45]([CH2:34][CH:24]=[CH:15][CH2:12][CH2:20][CH2:29][CH2:39][OH:55])[O:65]1)=[O:57])=[O:59])[OH:56] |
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