| Properties | Image |
|---|
| MNX_ID | MNXM1175889 |
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| reference | envipathM:...ef56277896f3 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | XSZCHVGIOIRPIH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-39-54(61)64-45(43-62-52(59)37-27-21-14-17-24-33-46(57)47(58)34-25-18-16-23-31-40-55)44-63-53(60)38-28-22-15-19-26-35-48-50(65-48)42-51-49(66-51)36-30-32-41-56/h5-6,8-9,18,25,40,45,47-51,56,58H,2-4,7,10-17,19-24,26-39,41-44H2,1H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC=O)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-39-54(61)64-45(43-62-52(59)37-27-21-14-17-24-33-46(57)47(58)34-25-18-16-23-31-40-55)44-63-53(60)38-28-22-15-19-26-35-48-50(65-48)42-51-49(66-51)36-30-32-41-56/h5-6,8-9,18,25,40,45,47-51,56,58H,2-4,7,10-17,19-24,26-39,41-44H2,1H3/b6-5?,9-8?,25-18?/t45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:20][CH2:29][CH2:39][C:54](=[O:61])[O:64][CH:45]([CH2:43][O:62][C:52]([CH2:37][CH2:27][CH2:21][CH2:14][CH2:17][CH2:24][CH2:33][C:46]([CH:47]([CH2:34][CH:25]=[CH:18][CH2:16][CH2:23][CH2:31][CH:40]=[O:55])[OH:58])=[O:57])=[O:59])[CH2:44][O:63][C:53]([CH2:38][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:42][CH:51]2[CH:49]([CH2:36][CH2:30][CH2:32][CH2:41][OH:56])[O:66]2)[O:65]1)=[O:60] |
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