| Properties | Image |
|---|
| MNX_ID | MNXM1189542 |
 |
| reference | envipathM:...785a4145482e |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | RGDTXWCVJWJAQY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-33-47-49(67-47)39-50-48(68-50)34-21-14-12-16-22-35-51(60)64-40-44(66-53(62)37-24-15-11-9-7-6-8-10-13-19-28-42(56)27-4-2)41-65-52(61)36-23-18-17-20-31-45(58)54(63)46(59)32-25-29-43(57)30-26-38-55/h8,10,19,25,28-29,42-50,54-59,63H,3-7,9,11-18,20-24,26-27,30-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(O)CC=CC(O)CCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-33-47-49(67-47)39-50-48(68-50)34-21-14-12-16-22-35-51(60)64-40-44(66-53(62)37-24-15-11-9-7-6-8-10-13-19-28-42(56)27-4-2)41-65-52(61)36-23-18-17-20-31-45(58)54(63)46(59)32-25-29-43(57)30-26-38-55/h8,10,19,25,28-29,42-50,54-59,63H,3-7,9,11-18,20-24,26-27,30-41H2,1-2H3/b10-8?,28-19?,29-25?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:47]1[CH:49]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:21][CH2:14][CH2:12][CH2:16][CH2:22][CH2:35][C:51](=[O:60])[O:64][CH2:40][CH:44]([CH2:41][O:65][C:52]([CH2:36][CH2:23][CH2:18][CH2:17][CH2:20][CH2:31][CH:45]([CH:54]([CH:46]([CH2:32][CH:25]=[CH:29][CH:43]([CH2:30][CH2:26][CH2:38][OH:55])[OH:57])[OH:59])[OH:63])[OH:58])=[O:61])[O:66][C:53]([CH2:37][CH2:24][CH2:15][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:13][CH:19]=[CH:28][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])=[O:62])[O:68]2)[O:67]1 |
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