| Properties | Image |
|---|
| MNX_ID | MNXM1220858 |
 |
| reference | envipathM:...055a7c1f4783 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | SAMYWMIBJVGYNJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-18-27-38-53(62)65-44(42-64-52(61)37-26-19-17-22-33-46(58)54-49(67-54)35-24-12-8-6-4-2)41-63-51(60)36-25-15-11-14-23-34-48-50(66-48)40-47(59)45(57)32-28-29-39-55/h9-10,12,24,43-50,54-59H,3-8,11,13-23,25-42H2,1-2H3 |
| SMILES | CCCCC=CCCCC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-13-20-30-43(56)31-21-16-18-27-38-53(62)65-44(42-64-52(61)37-26-19-17-22-33-46(58)54-49(67-54)35-24-12-8-6-4-2)41-63-51(60)36-25-15-11-14-23-34-48-50(66-48)40-47(59)45(57)32-28-29-39-55/h9-10,12,24,43-50,54-59H,3-8,11,13-23,25-42H2,1-2H3/b10-9?,24-12?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:13][CH2:20][CH2:30][CH:43]([CH2:31][CH2:21][CH2:16][CH2:18][CH2:27][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:25][CH2:15][CH2:11][CH2:14][CH2:23][CH2:34][CH:48]1[CH:50]([CH2:40][CH:47]([CH:45]([CH2:32][CH2:28][CH2:29][CH2:39][OH:55])[OH:57])[OH:59])[O:66]1)=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:26][CH2:19][CH2:17][CH2:22][CH2:33][CH:46]([CH:54]1[CH:49]([CH2:35][CH:24]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:58])=[O:61])[OH:56] |
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