| Properties | Image |
|---|
| MNX_ID | MNXM1187015 |
 |
| reference | envipathM:...6e4c78ff29a0 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | MBOFGRAXSIDZAG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-19-25-33-45(57)53(61)54(62)65-43(42-64-52(60)38-29-23-17-21-27-35-48-47(66-48)34-26-18-8-6-4-2)41-63-51(59)37-28-22-16-20-24-32-44(56)46(58)40-50-49(67-50)36-30-31-39-55/h9-10,12-13,18,26,43-44,46-50,53,55-56,58,61H,3-8,11,14-17,19-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(=O)C(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCCO)COC(=O)CCCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-19-25-33-45(57)53(61)54(62)65-43(42-64-52(60)38-29-23-17-21-27-35-48-47(66-48)34-26-18-8-6-4-2)41-63-51(59)37-28-22-16-20-24-32-44(56)46(58)40-50-49(67-50)36-30-31-39-55/h9-10,12-13,18,26,43-44,46-50,53,55-56,58,61H,3-8,11,14-17,19-25,27-42H2,1-2H3/b10-9?,13-12?,26-18?/t43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:19][CH2:25][CH2:33][C:45]([CH:53]([C:54](=[O:62])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:22][CH2:16][CH2:20][CH2:24][CH2:32][CH:44]([CH:46]([CH2:40][CH:50]1[CH:49]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:67]1)[OH:58])[OH:56])=[O:59])[CH2:42][O:64][C:52]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:21][CH2:27][CH2:35][CH:48]1[CH:47]([CH2:34][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:60])[OH:61])=[O:57] |
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