| Properties | Image |
|---|
| MNX_ID | MNXM1182996 |
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| reference | envipathM:...7c41f363f68b |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | RABWFKWHPBXWBD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-19-24-32-43(56)50(59)54(61)64-42(40-62-48(57)37-28-22-16-20-26-34-45-44(65-45)33-25-18-8-6-4-2)41-63-49(58)38-29-23-17-21-27-35-46-52(66-46)51(60)53-47(67-53)36-30-31-39-55/h9-10,18,25,42-47,50-53,55-56,59-60H,3-8,11-17,19-24,26-41H2,1-2H3 |
| SMILES | CCCCC=CCCCCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-9-10-11-12-13-14-15-19-24-32-43(56)50(59)54(61)64-42(40-62-48(57)37-28-22-16-20-26-34-45-44(65-45)33-25-18-8-6-4-2)41-63-49(58)38-29-23-17-21-27-35-46-52(66-46)51(60)53-47(67-53)36-30-31-39-55/h9-10,18,25,42-47,50-53,55-56,59-60H,3-8,11-17,19-24,26-41H2,1-2H3/b10-9?,25-18?/t42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:19][CH2:24][CH2:32][CH:43]([CH:50]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:48]([CH2:37][CH2:28][CH2:22][CH2:16][CH2:20][CH2:26][CH2:34][CH:45]1[CH:44]([CH2:33][CH:25]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:57])[CH2:41][O:63][C:49]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:21][CH2:27][CH2:35][CH:46]1[CH:52]([CH:51]([CH:53]2[CH:47]([CH2:36][CH2:30][CH2:31][CH2:39][OH:55])[O:67]2)[OH:60])[O:66]1)=[O:58])[OH:59])[OH:56] |
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