| Properties | Image |
|---|
| MNX_ID | MNXM1173537 |
 |
| reference | envipathM:...895909a68193 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | HDWGNFJOZGYTTR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-16-22-30-42(55)43(56)31-23-21-29-38-50(59)62-41(39-60-48(57)36-27-18-14-17-25-34-45-44(63-45)33-24-15-11-8-5-2)40-61-49(58)37-28-20-19-26-35-47-52-54(66-52)53(65-47)51-46(64-51)32-9-6-3/h12-13,15,22,24,30,41-47,51-56H,4-11,14,16-21,23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC1OC(C2OC2CCCC)C2OC12 |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-16-22-30-42(55)43(56)31-23-21-29-38-50(59)62-41(39-60-48(57)36-27-18-14-17-25-34-45-44(63-45)33-24-15-11-8-5-2)40-61-49(58)37-28-20-19-26-35-47-52-54(66-52)53(65-47)51-46(64-51)32-9-6-3/h12-13,15,22,24,30,41-47,51-56H,4-11,14,16-21,23,25-29,31-40H2,1-3H3/b13-12?,24-15?,30-22?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:22]=[CH:30][CH:42]([CH:43]([CH2:31][CH2:23][CH2:21][CH2:29][CH2:38][C:50](=[O:59])[O:62][CH:41]([CH2:39][O:60][C:48]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:17][CH2:25][CH2:34][CH:45]1[CH:44]([CH2:33][CH:24]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:63]1)=[O:57])[CH2:40][O:61][C:49]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:26][CH2:35][CH:47]1[CH:52]2[CH:54]([CH:53]([CH:51]3[CH:46]([CH2:32][CH2:9][CH2:6][CH3:3])[O:64]3)[O:65]1)[O:66]2)=[O:58])[OH:56])[OH:55] |
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