| Properties | Image |
|---|
| MNX_ID | MNXM1191524 |
 |
| reference | envipathM:...a32d191940c8 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SJPFXJULDCUGFG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-14-21-29-42(56)30-22-19-20-28-36-54(61)64-43(40-62-52(59)34-26-17-11-15-24-32-47-46(65-47)31-23-13-8-6-4-2)41-63-53(60)35-27-18-12-16-25-33-48-50(66-48)38-51-49(67-51)37-44(57)45(58)39-55/h13,21,23,29,42-51,55-58H,3-12,14-20,22,24-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CC(O)C(O)CO)OC(=O)CCCCCCC(O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-14-21-29-42(56)30-22-19-20-28-36-54(61)64-43(40-62-52(59)34-26-17-11-15-24-32-47-46(65-47)31-23-13-8-6-4-2)41-63-53(60)35-27-18-12-16-25-33-48-50(66-48)38-51-49(67-51)37-44(57)45(58)39-55/h13,21,23,29,42-51,55-58H,3-12,14-20,22,24-28,30-41H2,1-2H3/b23-13?,29-21?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:14][CH:21]=[CH:29][CH:42]([CH2:30][CH2:22][CH2:19][CH2:20][CH2:28][CH2:36][C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:52]([CH2:34][CH2:26][CH2:17][CH2:11][CH2:15][CH2:24][CH2:32][CH:47]1[CH:46]([CH2:31][CH:23]=[CH:13][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:35][CH2:27][CH2:18][CH2:12][CH2:16][CH2:25][CH2:33][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:37][CH:44]([CH:45]([CH2:39][OH:55])[OH:58])[OH:57])[O:67]2)[O:66]1)=[O:60])[OH:56] |
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