| Properties | Image |
|---|
| MNX_ID | MNXM1194657 |
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| reference | envipathM:...2a4e2c4c27a2 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | KZPSBWXGGXFLDY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-8-16-24-33-46-47(64-46)34-25-18-14-21-27-36-51(58)61-40-42(63-53(60)38-29-20-13-11-9-10-12-17-23-32-44(56)43(55)30-5-2)41-62-52(59)37-28-22-15-19-26-35-48-49(65-48)39-50-54(66-50)45(57)31-6-3/h12,17,42-50,54-57H,4-11,13-16,18-41H2,1-3H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CCCC(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-8-16-24-33-46-47(64-46)34-25-18-14-21-27-36-51(58)61-40-42(63-53(60)38-29-20-13-11-9-10-12-17-23-32-44(56)43(55)30-5-2)41-62-52(59)37-28-22-15-19-26-35-48-49(65-48)39-50-54(66-50)45(57)31-6-3/h12,17,42-50,54-57H,4-11,13-16,18-41H2,1-3H3/b17-12?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH2:16][CH2:24][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:36][C:51](=[O:58])[O:61][CH2:40][CH:42]([CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:35][CH:48]2[CH:49]([CH2:39][CH:50]3[CH:54]([CH:45]([CH2:31][CH2:6][CH3:3])[OH:57])[O:66]3)[O:65]2)=[O:59])[O:63][C:53]([CH2:38][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:10][CH:12]=[CH:17][CH2:23][CH2:32][CH:44]([CH:43]([CH2:30][CH2:5][CH3:2])[OH:55])[OH:56])=[O:60])[O:64]1 |
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