| Properties | Image |
|---|
| MNX_ID | MNXM1179710 |
 |
| reference | envipathM:...3483456d611d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FTTWSLCVBRTSTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-51(60)64-42(40-62-50(59)36-28-20-17-18-27-35-47-52(66-47)43(56)31-24-21-22-30-38-55)41-63-54(61)45(58)33-26-23-25-32-44(57)53-49(67-53)39-48-46(65-48)34-6-4-2/h8-9,11-12,24,31,42-43,45-49,52-53,55-56,58H,3-7,10,13-23,25-30,32-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCCO)COC(=O)C(O)CCCCCC(=O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-51(60)64-42(40-62-50(59)36-28-20-17-18-27-35-47-52(66-47)43(56)31-24-21-22-30-38-55)41-63-54(61)45(58)33-26-23-25-32-44(57)53-49(67-53)39-48-46(65-48)34-6-4-2/h8-9,11-12,24,31,42-43,45-49,52-53,55-56,58H,3-7,10,13-23,25-30,32-41H2,1-2H3/b9-8?,12-11?,31-24?/t42?,43?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:29][CH2:37][C:51](=[O:60])[O:64][CH:42]([CH2:40][O:62][C:50]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:27][CH2:35][CH:47]1[CH:52]([CH:43]([CH:31]=[CH:24][CH2:21][CH2:22][CH2:30][CH2:38][OH:55])[OH:56])[O:66]1)=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:33][CH2:26][CH2:23][CH2:25][CH2:32][C:44]([CH:53]1[CH:49]([CH2:39][CH:48]2[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]2)[O:67]1)=[O:57])[OH:58])=[O:61] |
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