| Properties | Image |
|---|
| MNX_ID | MNXM1183706 |
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| reference | envipathM:...c42590efd1c1 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | GPNHRKYWJSOETC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-20-25-31-42(55)51(58)52(59)53(60)54(61)64-41(39-62-49(56)36-29-23-17-21-27-34-44-43(65-44)33-26-19-11-8-5-2)40-63-50(57)37-30-24-18-22-28-35-46-48(67-46)38-47-45(66-47)32-9-6-3/h15-16,19,26,41-48,51-53,55,58-60H,4-14,17-18,20-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)C(O)C(O)C(O)CCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-20-25-31-42(55)51(58)52(59)53(60)54(61)64-41(39-62-49(56)36-29-23-17-21-27-34-44-43(65-44)33-26-19-11-8-5-2)40-63-50(57)37-30-24-18-22-28-35-46-48(67-46)38-47-45(66-47)32-9-6-3/h15-16,19,26,41-48,51-53,55,58-60H,4-14,17-18,20-25,27-40H2,1-3H3/b16-15?,26-19?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:20][CH2:25][CH2:31][CH:42]([CH:51]([CH:52]([CH:53]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:29][CH2:23][CH2:17][CH2:21][CH2:27][CH2:34][CH:44]1[CH:43]([CH2:33][CH:26]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])[CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:18][CH2:22][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:38][CH:47]2[CH:45]([CH2:32][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:57])[OH:60])[OH:59])[OH:58])[OH:55] |
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