| Properties | Image |
|---|
| MNX_ID | MNXM1178485 |
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| reference | envipathM:...8f5cf8b9952a |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | IPRCIGGTUQWNFQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-53(62)65-44(42-64-52(61)35-29-24-23-26-32-46(58)54-49(67-54)33-27-19-8-6-4-2)41-63-51(60)34-28-22-18-20-25-31-45(57)47(59)39-50-48(66-50)38-37-43(56)40-55/h9-10,12-13,43-50,54-59H,3-8,11,14-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCC(O)CO)COC(=O)CCCCCCC(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-36-53(62)65-44(42-64-52(61)35-29-24-23-26-32-46(58)54-49(67-54)33-27-19-8-6-4-2)41-63-51(60)34-28-22-18-20-25-31-45(57)47(59)39-50-48(66-50)38-37-43(56)40-55/h9-10,12-13,43-50,54-59H,3-8,11,14-42H2,1-2H3/b10-9?,13-12?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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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][CH2:16][CH2:17][CH2:21][CH2:30][CH2:36][C:53](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:34][CH2:28][CH2:22][CH2:18][CH2:20][CH2:25][CH2:31][CH:45]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:38][CH2:37][CH:43]([CH2:40][OH:55])[OH:56])[O:66]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:52]([CH2:35][CH2:29][CH2:24][CH2:23][CH2:26][CH2:32][CH:46]([CH:54]1[CH:49]([CH2:33][CH2:27][CH2:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:58])=[O:61] |
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