| Properties | Image |
|---|
| MNX_ID | MNXM1188308 |
 |
| reference | envipathM:...1a7dac9c5187 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | KCWXVXGBPOEUSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(60)64-43(41-62-51(59)38-31-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-63-54(61)47(58)36-29-25-26-30-37-48-49(65-48)40-50-53(66-50)46(57)33-6-3/h11-12,14-15,21,27,43-45,48-50,53,55-56H,4-10,13,16-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(60)64-43(41-62-51(59)38-31-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-63-54(61)47(58)36-29-25-26-30-37-48-49(65-48)40-50-53(66-50)46(57)33-6-3/h11-12,14-15,21,27,43-45,48-50,53,55-56H,4-10,13,16-20,22-26,28-42H2,1-3H3/b12-11?,15-14?,27-21?/t43?,44?,45?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:32][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:22][CH2:28][CH2:35][CH:45]([CH:44]([CH2:34][CH:27]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])[CH2:42][O:63][C:54]([C:47]([CH2:36][CH2:29][CH2:25][CH2:26][CH2:30][CH2:37][CH:48]1[CH:49]([CH2:40][CH:50]2[CH:53]([C:46]([CH2:33][CH2:6][CH3:3])=[O:57])[O:66]2)[O:65]1)=[O:58])=[O:61] |
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