| Properties | Image |
|---|
| MNX_ID | MNXM1183124 |
 |
| reference | envipathM:...f6bee923ae8d |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | RBBNNLYHNKYAPL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-6-18-26-34-45-50(63-45)43(56)33-25-22-23-29-37-48(58)61-41-42(62-49(59)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)40-60-47(57)36-28-21-17-19-27-35-46-51(64-46)53-54-52(66-54)44(65-53)32-4-2/h7-8,12,14,18,26,42-46,50-56H,3-6,9-11,13,15-17,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C1OC(CCC)C2OC21)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-6-18-26-34-45-50(63-45)43(56)33-25-22-23-29-37-48(58)61-41-42(62-49(59)38-30-20-15-13-11-9-7-8-10-12-14-16-24-31-39-55)40-60-47(57)36-28-21-17-19-27-35-46-51(64-46)53-54-52(66-54)44(65-53)32-4-2/h7-8,12,14,18,26,42-46,50-56H,3-6,9-11,13,15-17,19-25,27-41H2,1-2H3/b8-7?,14-12?,26-18?/t42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:18]=[CH:26][CH2:34][CH:45]1[CH:50]([CH:43]([CH2:33][CH2:25][CH2:22][CH2:23][CH2:29][CH2:37][C:48](=[O:58])[O:61][CH2:41][CH:42]([CH2:40][O:60][C:47]([CH2:36][CH2:28][CH2:21][CH2:17][CH2:19][CH2:27][CH2:35][CH:46]2[CH:51]([CH:53]3[CH:54]4[CH:52]([CH:44]([CH2:32][CH2:4][CH3:2])[O:65]3)[O:66]4)[O:64]2)=[O:57])[O:62][C:49]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:24][CH2:31][CH2:39][OH:55])=[O:59])[OH:56])[O:63]1 |
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