| Properties | Image |
|---|
| MNX_ID | MNXM1185135 |
 |
| reference | envipathM:...85fe6eaf9ad4 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | HZOMNQNRKPVBAP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-36-54(60)63-43(41-61-52(58)34-25-21-16-18-23-31-46-49(64-46)38-37-45(57)44(56)30-4-2)42-62-53(59)35-26-22-17-19-24-32-47-50(65-47)40-51-48(66-51)33-28-29-39-55/h7-8,10-11,43,45-51,55,57H,3-6,9,12-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCC(O)C(=O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-27-36-54(60)63-43(41-61-52(58)34-25-21-16-18-23-31-46-49(64-46)38-37-45(57)44(56)30-4-2)42-62-53(59)35-26-22-17-19-24-32-47-50(65-47)40-51-48(66-51)33-28-29-39-55/h7-8,10-11,43,45-51,55,57H,3-6,9,12-42H2,1-2H3/b8-7?,11-10?/t43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:27][CH2:36][C:54](=[O:60])[O:63][CH:43]([CH2:41][O:61][C:52]([CH2:34][CH2:25][CH2:21][CH2:16][CH2:18][CH2:23][CH2:31][CH:46]1[CH:49]([CH2:38][CH2:37][CH:45]([C:44]([CH2:30][CH2:4][CH3:2])=[O:56])[OH:57])[O:64]1)=[O:58])[CH2:42][O:62][C:53]([CH2:35][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:32][CH:47]1[CH:50]([CH2:40][CH:51]2[CH:48]([CH2:33][CH2:28][CH2:29][CH2:39][OH:55])[O:66]2)[O:65]1)=[O:59] |
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