| Properties | Image |
|---|
| MNX_ID | MNXM1194683 |
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| reference | envipathM:...99a8fb6033a6 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | VQKDSOXKDYAYHR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-6-9-20-32-46-47(64-46)33-21-10-7-12-23-36-52(58)61-41-45(63-54(60)38-25-15-14-17-30-44(57)31-19-16-18-29-43(56)28-4-2)42-62-53(59)37-24-13-8-11-22-34-48-50(65-48)40-51-49(66-51)35-26-27-39-55/h9,20,43-51,55-57H,3-8,10-19,21-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCC(O)CCCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-6-9-20-32-46-47(64-46)33-21-10-7-12-23-36-52(58)61-41-45(63-54(60)38-25-15-14-17-30-44(57)31-19-16-18-29-43(56)28-4-2)42-62-53(59)37-24-13-8-11-22-34-48-50(65-48)40-51-49(66-51)35-26-27-39-55/h9,20,43-51,55-57H,3-8,10-19,21-42H2,1-2H3/b20-9?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:9]=[CH:20][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:21][CH2:10][CH2:7][CH2:12][CH2:23][CH2:36][C:52](=[O:58])[O:61][CH2:41][CH:45]([CH2:42][O:62][C:53]([CH2:37][CH2:24][CH2:13][CH2:8][CH2:11][CH2:22][CH2:34][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:35][CH2:26][CH2:27][CH2:39][OH:55])[O:66]3)[O:65]2)=[O:59])[O:63][C:54]([CH2:38][CH2:25][CH2:15][CH2:14][CH2:17][CH2:30][CH:44]([CH2:31][CH2:19][CH2:16][CH2:18][CH2:29][CH:43]([CH2:28][CH2:4][CH3:2])[OH:56])[OH:57])=[O:60])[O:64]1 |
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