| Properties | Image |
|---|
| MNX_ID | MNXM1176478 |
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| reference | envipathM:...44fb8434b349 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | TUZJAHKRPOZZRF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-44(56)54(60)63-42(40-61-48(57)38-31-25-20-23-29-36-45-51(64-45)43(55)33-27-11-8-5-2)41-62-49(58)39-32-26-21-24-30-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h15-16,27,33,42-47,51-53,55-56H,4-14,17-26,28-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-34-44(56)54(60)63-42(40-61-48(57)38-31-25-20-23-29-36-45-51(64-45)43(55)33-27-11-8-5-2)41-62-49(58)39-32-26-21-24-30-37-47-53(66-47)50(59)52-46(65-52)35-9-6-3/h15-16,27,33,42-47,51-53,55-56H,4-14,17-26,28-32,34-41H2,1-3H3/b16-15?,33-27?/t42?,43?,44?,45?,46?,47?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:28][CH2:34][CH:44]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:48]([CH2:38][CH2:31][CH2:25][CH2:20][CH2:23][CH2:29][CH2:36][CH:45]1[CH:51]([CH:43]([CH:33]=[CH:27][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:64]1)=[O:57])[CH2:41][O:62][C:49]([CH2:39][CH2:32][CH2:26][CH2:21][CH2:24][CH2:30][CH2:37][CH:47]1[CH:53]([C:50]([CH:52]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)=[O:59])[O:66]1)=[O:58])[OH:56] |
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