| Properties | Image |
|---|
| MNX_ID | MNXM1195605 |
 |
| reference | envipathM:...fe9afeb1e948 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | WBCHKUSEDSEWPO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-28-38-49(59)64-42(40-62-47(57)36-27-22-18-20-26-34-45-44(65-45)33-25-19-8-6-4-2)41-63-48(58)37-29-23-24-32-43(56)50(60)53-54(67-53)51(61)52-46(66-52)35-30-31-39-55/h12-13,19,25,42-46,50-56,60-61H,3-11,14-18,20-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(O)C(O)C1OC1C(O)C1OC1CCCCO)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-28-38-49(59)64-42(40-62-47(57)36-27-22-18-20-26-34-45-44(65-45)33-25-19-8-6-4-2)41-63-48(58)37-29-23-24-32-43(56)50(60)53-54(67-53)51(61)52-46(66-52)35-30-31-39-55/h12-13,19,25,42-46,50-56,60-61H,3-11,14-18,20-24,26-41H2,1-2H3/b13-12?,25-19?/t42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:28][CH2:38][C:49](=[O:59])[O:64][CH:42]([CH2:40][O:62][C:47]([CH2:36][CH2:27][CH2:22][CH2:18][CH2:20][CH2:26][CH2:34][CH:45]1[CH:44]([CH2:33][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:57])[CH2:41][O:63][C:48]([CH2:37][CH2:29][CH2:23][CH2:24][CH2:32][CH:43]([CH:50]([CH:53]1[CH:54]([CH:51]([CH:52]2[CH:46]([CH2:35][CH2:30][CH2:31][CH2:39][OH:55])[O:66]2)[OH:61])[O:67]1)[OH:60])[OH:56])=[O:58] |
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