| Properties | Image |
|---|
| MNX_ID | MNXM1189358 |
 |
| reference | envipathM:...417ec45ff897 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | SLFFCZDFHKGGMY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-38-51(60)65-42(40-63-49(58)36-29-24-23-27-33-44(56)52(61)43(55)32-26-21-11-8-5-2)41-64-50(59)37-31-25-28-34-45(57)53(62)54-48(67-54)39-47-46(66-47)35-9-6-3/h12-13,21,26,42-48,52-57,61-62H,4-11,14-20,22-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C(O)C(O)CC=CCCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-38-51(60)65-42(40-63-49(58)36-29-24-23-27-33-44(56)52(61)43(55)32-26-21-11-8-5-2)41-64-50(59)37-31-25-28-34-45(57)53(62)54-48(67-54)39-47-46(66-47)35-9-6-3/h12-13,21,26,42-48,52-57,61-62H,4-11,14-20,22-25,27-41H2,1-3H3/b13-12?,26-21?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:30][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:49]([CH2:36][CH2:29][CH2:24][CH2:23][CH2:27][CH2:33][CH:44]([CH:52]([CH:43]([CH2:32][CH:26]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:61])[OH:56])=[O:58])[CH2:41][O:64][C:50]([CH2:37][CH2:31][CH2:25][CH2:28][CH2:34][CH:45]([CH:53]([CH:54]1[CH:48]([CH2:39][CH:47]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:62])[OH:57])=[O:59] |
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