| Properties | Image |
|---|
| MNX_ID | MNXM1171522 |
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| reference | envipathM:...667b911377bd |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | BIQVIMYWGNWZMW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-33-47-52(66-47)51(60)53-48(67-53)36-26-17-12-20-28-38-50(59)63-41-43(64-54(61)44(57)32-23-15-10-8-6-7-9-14-22-31-42(56)30-4-2)40-62-49(58)37-27-19-11-16-24-34-45-46(65-45)35-25-18-13-21-29-39-55/h7,9,18,25,42-48,51-53,55-57,60H,3-6,8,10-17,19-24,26-41H2,1-2H3 |
| SMILES | CCCCC1OC1C(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)C(O)CCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-33-47-52(66-47)51(60)53-48(67-53)36-26-17-12-20-28-38-50(59)63-41-43(64-54(61)44(57)32-23-15-10-8-6-7-9-14-22-31-42(56)30-4-2)40-62-49(58)37-27-19-11-16-24-34-45-46(65-45)35-25-18-13-21-29-39-55/h7,9,18,25,42-48,51-53,55-57,60H,3-6,8,10-17,19-24,26-41H2,1-2H3/b9-7?,25-18?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:36][CH2:26][CH2:17][CH2:12][CH2:20][CH2:28][CH2:38][C:50](=[O:59])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:49]([CH2:37][CH2:27][CH2:19][CH2:11][CH2:16][CH2:24][CH2:34][CH:45]3[CH:46]([CH2:35][CH:25]=[CH:18][CH2:13][CH2:21][CH2:29][CH2:39][OH:55])[O:65]3)=[O:58])[O:64][C:54]([CH:44]([CH2:32][CH2:23][CH2:15][CH2:10][CH2:8][CH2:6][CH:7]=[CH:9][CH2:14][CH2:22][CH2:31][CH:42]([CH2:30][CH2:4][CH3:2])[OH:56])[OH:57])=[O:61])[O:67]2)[OH:60])[O:66]1 |
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