| Properties | Image |
|---|
| MNX_ID | MNXM1170422 |
 |
| reference | envipathM:...ac0a470d3d92 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | HRSZFTNFJRIEML-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-53(62)65-44(41-63-51(60)36-28-20-17-18-25-32-45(57)47(59)39-50-48(66-50)34-6-4-2)42-64-52(61)37-29-22-21-26-33-46(58)54-49(67-54)35-27-23-24-31-43(56)40-55/h11-12,23,27,43-50,54-59H,3-10,13-22,24-26,28-42H2,1-2H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-30-38-53(62)65-44(41-63-51(60)36-28-20-17-18-25-32-45(57)47(59)39-50-48(66-50)34-6-4-2)42-64-52(61)37-29-22-21-26-33-46(58)54-49(67-54)35-27-23-24-31-43(56)40-55/h11-12,23,27,43-50,54-59H,3-10,13-22,24-26,28-42H2,1-2H3/b12-11?,27-23?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:30][CH2:38][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:25][CH2:32][CH:45]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:37][CH2:29][CH2:22][CH2:21][CH2:26][CH2:33][CH:46]([CH:54]1[CH:49]([CH2:35][CH:27]=[CH:23][CH2:24][CH2:31][CH:43]([CH2:40][OH:55])[OH:56])[O:67]1)[OH:58])=[O:61] |
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