| Properties | Image |
|---|
| MNX_ID | MNXM1195332 |
 |
| reference | envipathM:...e46d05c9beba |
| formula | C54H89O13 |
| global charge | -1 |
| mol weight | 946.293 |
| InChIKey | XMJXYGZYLQULOR-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-15-24-34-47-54(67-47)44(56)31-22-20-21-27-37-52(60)63-42-43(64-53(61)38-28-18-13-11-9-7-5-6-8-10-12-17-25-35-50(57)58)41-62-51(59)36-26-19-14-16-23-32-45-48(65-45)40-49-46(66-49)33-29-30-39-55/h5-6,10,12,15,24,43-49,54-56H,2-4,7-9,11,13-14,16-23,25-42H2,1H3,(H,57,58)/p-1 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CCCCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-15-24-34-47-54(67-47)44(56)31-22-20-21-27-37-52(60)63-42-43(64-53(61)38-28-18-13-11-9-7-5-6-8-10-12-17-25-35-50(57)58)41-62-51(59)36-26-19-14-16-23-32-45-48(65-45)40-49-46(66-49)33-29-30-39-55/h5-6,10,12,15,24,43-49,54-56H,2-4,7-9,11,13-14,16-23,25-42H2,1H3,(H,57,58)/b6-5?,12-10?,24-15?/t43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:15]=[CH:24][CH2:34][CH:47]1[CH:54]([CH:44]([CH2:31][CH2:22][CH2:20][CH2:21][CH2:27][CH2:37][C:52](=[O:60])[O:63][CH2:42][CH:43]([CH2:41][O:62][C:51]([CH2:36][CH2:26][CH2:19][CH2:14][CH2:16][CH2:23][CH2:32][CH:45]2[CH:48]([CH2:40][CH:49]3[CH:46]([CH2:33][CH2:29][CH2:30][CH2:39][OH:55])[O:66]3)[O:65]2)=[O:59])[O:64][C:53]([CH2:38][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:17][CH2:25][CH2:35][C:50](=[O:57])[OH:58])=[O:61])[OH:56])[O:67]1 |
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