| Properties | Image |
|---|
| MNX_ID | MNXM1138771 |
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| reference | envipathM:...dd1ec99aacb5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | QMCDQRBFZITPGW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-21-27-33-44(56)52(60)54(62)65-42(40-63-51(59)38-31-23-19-22-30-37-48-47(66-48)36-29-20-11-8-5-2)41-64-53(61)45(57)34-28-25-24-26-32-43(55)46(58)39-50-49(67-50)35-9-6-3/h12-13,15-16,20,29,42-45,47-50,52,55-57,60H,4-11,14,17-19,21-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC(O)C(=O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-21-27-33-44(56)52(60)54(62)65-42(40-63-51(59)38-31-23-19-22-30-37-48-47(66-48)36-29-20-11-8-5-2)41-64-53(61)45(57)34-28-25-24-26-32-43(55)46(58)39-50-49(67-50)35-9-6-3/h12-13,15-16,20,29,42-45,47-50,52,55-57,60H,4-11,14,17-19,21-28,30-41H2,1-3H3/b13-12?,16-15?,29-20?/t42?,43?,44?,45?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:21][CH2:27][CH2:33][CH:44]([CH:52]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:51]([CH2:38][CH2:31][CH2:23][CH2:19][CH2:22][CH2:30][CH2:37][CH:48]1[CH:47]([CH2:36][CH:29]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)=[O:59])[CH2:41][O:64][C:53]([CH:45]([CH2:34][CH2:28][CH2:25][CH2:24][CH2:26][CH2:32][CH:43]([C:46]([CH2:39][CH:50]1[CH:49]([CH2:35][CH2:9][CH2:6][CH3:3])[O:67]1)=[O:58])[OH:55])[OH:57])=[O:61])[OH:60])[OH:56] |
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