| Properties | Image |
|---|
| MNX_ID | MNXM1171546 |
 |
| reference | envipathM:...91a45fbf5494 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VIPLZWSZCCMYQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-37-50(60)65-43(40-63-48(58)35-28-24-19-21-26-32-44(56)51(61)45(57)39-38-42(55)31-6-3)41-64-49(59)36-29-25-20-22-27-34-47-54(67-47)52(62)53-46(66-53)33-8-5-2/h10-11,13-14,38-39,42-47,51-57,61-62H,4-9,12,15-37,40-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CC(O)CCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-37-50(60)65-43(40-63-48(58)35-28-24-19-21-26-32-44(56)51(61)45(57)39-38-42(55)31-6-3)41-64-49(59)36-29-25-20-22-27-34-47-54(67-47)52(62)53-46(66-53)33-8-5-2/h10-11,13-14,38-39,42-47,51-57,61-62H,4-9,12,15-37,40-41H2,1-3H3/b11-10?,14-13?,39-38?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:37][C:50](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:48]([CH2:35][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:32][CH:44]([CH:51]([CH:45]([CH:39]=[CH:38][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])[OH:57])[OH:61])[OH:56])=[O:58])[CH2:41][O:64][C:49]([CH2:36][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:34][CH:47]1[CH:54]([CH:52]([CH:53]2[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:62])[O:67]1)=[O:59] |
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