| Properties | Image |
|---|
| MNX_ID | MNXM1191185 |
 |
| reference | envipathM:...f86245476cee |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | BGTOGHSBPPVMSQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-32-48-49(66-48)39-50-54(67-50)45(58)31-20-14-15-23-36-52(60)63-41-44(64-53(61)37-24-12-8-6-7-10-18-28-43(57)29-19-16-17-25-38-55)40-62-51(59)35-22-13-9-11-21-33-46-47(65-46)34-26-30-42(56)27-4-2/h18-19,26,28-30,38,42-50,54,56-58H,3-17,20-25,27,31-37,39-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-32-48-49(66-48)39-50-54(67-50)45(58)31-20-14-15-23-36-52(60)63-41-44(64-53(61)37-24-12-8-6-7-10-18-28-43(57)29-19-16-17-25-38-55)40-62-51(59)35-22-13-9-11-21-33-46-47(65-46)34-26-30-42(56)27-4-2/h18-19,26,28-30,38,42-50,54,56-58H,3-17,20-25,27,31-37,39-41H2,1-2H3/b28-18?,29-19?,30-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([CH:45]([CH2:31][CH2:20][CH2:14][CH2:15][CH2:23][CH2:36][C:52](=[O:60])[O:63][CH2:41][CH:44]([CH2:40][O:62][C:51]([CH2:35][CH2:22][CH2:13][CH2:9][CH2:11][CH2:21][CH2:33][CH:46]3[CH:47]([CH2:34][CH:26]=[CH:30][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[O:65]3)=[O:59])[O:64][C:53]([CH2:37][CH2:24][CH2:12][CH2:8][CH2:6][CH2:7][CH2:10][CH:18]=[CH:28][CH:43]([CH:29]=[CH:19][CH2:16][CH2:17][CH2:25][CH:38]=[O:55])[OH:57])=[O:61])[OH:58])[O:67]2)[O:66]1 |
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