| Properties | Image |
|---|
| MNX_ID | MNXM1196154 |
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| reference | envipathM:...501529e2743f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | HTPRQWSRUSELEX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-17-27-35-48-54(66-48)45(57)32-25-22-23-29-37-52(59)62-42-44(63-53(60)38-30-20-15-13-11-9-8-10-12-14-18-24-31-43(56)40-55)41-61-51(58)36-28-21-16-19-26-34-47-50(65-47)39-49-46(64-49)33-6-4-2/h8,10,14,18,43-44,46-50,54-56H,3-7,9,11-13,15-17,19-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1C(=O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-17-27-35-48-54(66-48)45(57)32-25-22-23-29-37-52(59)62-42-44(63-53(60)38-30-20-15-13-11-9-8-10-12-14-18-24-31-43(56)40-55)41-61-51(58)36-28-21-16-19-26-34-47-50(65-47)39-49-46(64-49)33-6-4-2/h8,10,14,18,43-44,46-50,54-56H,3-7,9,11-13,15-17,19-42H2,1-2H3/b10-8?,18-14?/t43?,44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:17][CH2:27][CH2:35][CH:48]1[CH:54]([C:45]([CH2:32][CH2:25][CH2:22][CH2:23][CH2:29][CH2:37][C:52](=[O:59])[O:62][CH2:42][CH:44]([CH2:41][O:61][C:51]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:26][CH2:34][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:63][C:53]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH:14]=[CH:18][CH2:24][CH2:31][CH:43]([CH2:40][OH:55])[OH:56])=[O:60])=[O:57])[O:66]1 |
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