| Properties | Image |
|---|
| MNX_ID | MNXM1346972 |
 |
| reference | envipathM:...bed18accf643 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | XVHMHWIIVHFQKU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-29-38-52(60)65-43(42-64-54(62)53(61)45(57)33-25-23-27-35-48-47(66-48)34-26-19-8-6-4-2)41-63-51(59)37-28-22-18-20-24-32-44(56)46(58)40-50-49(67-50)36-30-31-39-55/h9-10,19,26,43-50,53,55-58,61H,3-8,11-18,20-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCCO)COC(=O)C(O)C(O)CCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-29-38-52(60)65-43(42-64-54(62)53(61)45(57)33-25-23-27-35-48-47(66-48)34-26-19-8-6-4-2)41-63-51(59)37-28-22-18-20-24-32-44(56)46(58)40-50-49(67-50)36-30-31-39-55/h9-10,19,26,43-50,53,55-58,61H,3-8,11-18,20-25,27-42H2,1-2H3/b10-9?,26-19?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:29][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:28][CH2:22][CH2:18][CH2:20][CH2:24][CH2:32][CH:44]([CH:46]([CH2:40][CH:50]1[CH:49]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:67]1)[OH:58])[OH:56])=[O:59])[CH2:42][O:64][C:54]([CH:53]([CH:45]([CH2:33][CH2:25][CH2:23][CH2:27][CH2:35][CH:48]1[CH:47]([CH2:34][CH:26]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)[OH:57])[OH:61])=[O:62] |
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