| Properties | Image |
|---|
| MNX_ID | MNXM1194965 |
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| reference | envipathM:...31bd4f61fa4f |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | UPPGUYGZMAEEPL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-8-9-12-20-29-42(56)30-21-19-23-32-45(58)54(61)64-43(40-62-51(59)36-26-15-10-13-24-34-46-47(65-46)35-25-14-11-18-28-38-55)41-63-52(60)37-27-17-16-22-31-44(57)53-50(67-53)39-49-48(66-49)33-6-4-2/h8-9,14,20,25,29,43-50,53,55,57-58H,3-7,10-13,15-19,21-24,26-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-8-9-12-20-29-42(56)30-21-19-23-32-45(58)54(61)64-43(40-62-51(59)36-26-15-10-13-24-34-46-47(65-46)35-25-14-11-18-28-38-55)41-63-52(60)37-27-17-16-22-31-44(57)53-50(67-53)39-49-48(66-49)33-6-4-2/h8-9,14,20,25,29,43-50,53,55,57-58H,3-7,10-13,15-19,21-24,26-28,30-41H2,1-2H3/b9-8?,25-14?,29-20?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:12][CH:20]=[CH:29][C:42]([CH2:30][CH2:21][CH2:19][CH2:23][CH2:32][CH:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:26][CH2:15][CH2:10][CH2:13][CH2:24][CH2:34][CH:46]1[CH:47]([CH2:35][CH:25]=[CH:14][CH2:11][CH2:18][CH2:28][CH2:38][OH:55])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:37][CH2:27][CH2:17][CH2:16][CH2:22][CH2:31][CH:44]([CH:53]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)[OH:57])=[O:60])[OH:58])=[O:56] |
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