| Properties | Image |
|---|
| MNX_ID | MNXM1171406 |
 |
| reference | envipathM:...2fb4bf186cee |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | AOJZFQXRDCVBFP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-18-23-31-43(56)52(59)54(61)64-42(40-62-51(58)37-28-20-16-19-26-34-46-45(65-46)33-25-17-8-6-4-2)41-63-53(60)44(57)32-24-21-22-27-35-47-49(66-47)39-50-48(67-50)36-29-30-38-55/h9-10,12-13,17,25,38,42-50,52,56-57,59H,3-8,11,14-16,18-24,26-37,39-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-18-23-31-43(56)52(59)54(61)64-42(40-62-51(58)37-28-20-16-19-26-34-46-45(65-46)33-25-17-8-6-4-2)41-63-53(60)44(57)32-24-21-22-27-35-47-49(66-47)39-50-48(67-50)36-29-30-38-55/h9-10,12-13,17,25,38,42-50,52,56-57,59H,3-8,11,14-16,18-24,26-37,39-41H2,1-2H3/b10-9?,13-12?,25-17?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:18][CH2:23][CH2:31][CH:43]([CH:52]([C:54](=[O:61])[O:64][CH:42]([CH2:40][O:62][C:51]([CH2:37][CH2:28][CH2:20][CH2:16][CH2:19][CH2:26][CH2:34][CH:46]1[CH:45]([CH2:33][CH:25]=[CH:17][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:58])[CH2:41][O:63][C:53]([CH:44]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:27][CH2:35][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:48]([CH2:36][CH2:29][CH2:30][CH:38]=[O:55])[O:67]2)[O:66]1)[OH:57])=[O:60])[OH:59])[OH:56] |
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