| Properties | Image |
|---|
| MNX_ID | MNXM1139045 |
 |
| reference | envipathM:...29ca2e4ee16f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | LFDJCJFDFVZMKW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-30-36-47(58)54(63)66-43(42-65-52(61)39-32-26-25-29-35-46(57)53(62)45(56)34-28-21-11-8-5-2)41-64-51(60)38-31-24-20-23-27-33-44(55)48(59)40-50-49(67-50)37-9-6-3/h12-13,15-16,21,28,43,45-50,53,56-59,62H,4-11,14,17-20,22-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C(O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-30-36-47(58)54(63)66-43(42-65-52(61)39-32-26-25-29-35-46(57)53(62)45(56)34-28-21-11-8-5-2)41-64-51(60)38-31-24-20-23-27-33-44(55)48(59)40-50-49(67-50)37-9-6-3/h12-13,15-16,21,28,43,45-50,53,56-59,62H,4-11,14,17-20,22-27,29-42H2,1-3H3/b13-12?,16-15?,28-21?/t43?,45?,46?,47?,48?,49?,50?,53? |
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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][CH2:19][CH2:22][CH2:30][CH2:36][CH:47]([C:54](=[O:63])[O:66][CH:43]([CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:27][CH2:33][C:44]([CH:48]([CH2:40][CH:50]1[CH:49]([CH2:37][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:59])=[O:55])=[O:60])[CH2:42][O:65][C:52]([CH2:39][CH2:32][CH2:26][CH2:25][CH2:29][CH2:35][CH:46]([CH:53]([CH:45]([CH2:34][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:62])[OH:57])=[O:61])[OH:58] |
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