| Properties | Image |
|---|
| MNX_ID | MNXM1178532 |
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| reference | envipathM:...739fab20abe7 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | BDQFXFOKFIQBRY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-28-38-49(58)64-42(39-62-48(57)37-27-22-19-20-25-35-47-53(67-47)51(60)52-46(66-52)33-8-5-2)40-63-54(61)50(59)43(56)32-24-23-26-34-44-45(65-44)36-29-31-41(55)30-6-3/h10-11,29,31,41-47,50-53,55-56,59-60H,4-9,12-28,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-28-38-49(58)64-42(39-62-48(57)37-27-22-19-20-25-35-47-53(67-47)51(60)52-46(66-52)33-8-5-2)40-63-54(61)50(59)43(56)32-24-23-26-34-44-45(65-44)36-29-31-41(55)30-6-3/h10-11,29,31,41-47,50-53,55-56,59-60H,4-9,12-28,30,32-40H2,1-3H3/b11-10?,31-29?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:28][CH2:38][C:49](=[O:58])[O:64][CH:42]([CH2:39][O:62][C:48]([CH2:37][CH2:27][CH2:22][CH2:19][CH2:20][CH2:25][CH2:35][CH:47]1[CH:53]([CH:51]([CH:52]2[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:60])[O:67]1)=[O:57])[CH2:40][O:63][C:54]([CH:50]([CH:43]([CH2:32][CH2:24][CH2:23][CH2:26][CH2:34][CH:44]1[CH:45]([CH2:36][CH:29]=[CH:31][CH:41]([CH2:30][CH2:6][CH3:3])[OH:55])[O:65]1)[OH:56])[OH:59])=[O:61] |
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