| Properties | Image |
|---|
| MNX_ID | MNXM1139262 |
 |
| reference | envipathM:...32550a5568ac |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | LVBGTGAQHZNKHT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-15-26-35-45-46(65-45)36-27-18-14-19-29-38-49(58)62-39-42(64-54(61)44(57)33-24-17-13-12-16-23-31-41(55)30-22-11-8-5-2)40-63-53(60)43(56)32-25-20-21-28-37-48-52(67-48)50(59)51-47(66-51)34-9-6-3/h15,22,26,30,41-48,50-52,55-57,59H,4-14,16-21,23-25,27-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)C(O)CCCCCCCCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-15-26-35-45-46(65-45)36-27-18-14-19-29-38-49(58)62-39-42(64-54(61)44(57)33-24-17-13-12-16-23-31-41(55)30-22-11-8-5-2)40-63-53(60)43(56)32-25-20-21-28-37-48-52(67-48)50(59)51-47(66-51)34-9-6-3/h15,22,26,30,41-48,50-52,55-57,59H,4-14,16-21,23-25,27-29,31-40H2,1-3H3/b26-15?,30-22?/t41?,42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:19][CH2:29][CH2:38][C:49](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:53]([CH:43]([CH2:32][CH2:25][CH2:20][CH2:21][CH2:28][CH2:37][CH:48]2[CH:52]([CH:50]([CH:51]3[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]3)[OH:59])[O:67]2)[OH:56])=[O:60])[O:64][C:54]([CH:44]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:12][CH2:16][CH2:23][CH2:31][CH:41]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])=[O:61])[O:65]1 |
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