| Properties | Image |
|---|
| MNX_ID | MNXM1197237 |
 |
| reference | envipathM:...618b332beacb |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | UXZLCUVABFKEIJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-19-27-41(55)36-37-42(56)28-20-15-17-26-35-52(59)62-43(39-60-50(57)33-24-14-12-13-22-30-45-49(64-45)38-48-44(63-48)29-9-6-3)40-61-51(58)34-25-18-16-23-32-47-54-53(66-54)46(65-47)31-21-11-8-5-2/h19,21,27,31,36-37,41-49,53-56H,4-18,20,22-26,28-30,32-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC1OC(C=CCCCC)C2OC12 |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-19-27-41(55)36-37-42(56)28-20-15-17-26-35-52(59)62-43(39-60-50(57)33-24-14-12-13-22-30-45-49(64-45)38-48-44(63-48)29-9-6-3)40-61-51(58)34-25-18-16-23-32-47-54-53(66-54)46(65-47)31-21-11-8-5-2/h19,21,27,31,36-37,41-49,53-56H,4-18,20,22-26,28-30,32-35,38-40H2,1-3H3/b27-19?,31-21?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:19]=[CH:27][CH:41]([CH:36]=[CH:37][CH:42]([CH2:28][CH2:20][CH2:15][CH2:17][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH:43]([CH2:39][O:60][C:50]([CH2:33][CH2:24][CH2:14][CH2:12][CH2:13][CH2:22][CH2:30][CH:45]1[CH:49]([CH2:38][CH:48]2[CH:44]([CH2:29][CH2:9][CH2:6][CH3:3])[O:63]2)[O:64]1)=[O:57])[CH2:40][O:61][C:51]([CH2:34][CH2:25][CH2:18][CH2:16][CH2:23][CH2:32][CH:47]1[CH:54]2[CH:53]([CH:46]([CH:31]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[O:66]2)=[O:58])[OH:56])[OH:55] |
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