| Properties | Image |
|---|
| MNX_ID | MNXM1175536 |
 |
| reference | envipathM:...3845284aa734 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | IHFJSMSCUBXMNQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-6-12-23-33-44-45(63-44)34-24-14-10-17-26-36-48(57)60-40-43(62-50(59)38-28-16-9-7-8-13-21-31-42(56)32-22-19-20-29-39-55)41-61-49(58)37-27-18-11-15-25-35-47-51(64-47)53-54-52(66-54)46(65-53)30-4-2/h12,21-23,31-32,42-47,51-56H,3-11,13-20,24-30,33-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C1OC(CCC)C2OC21)OC(=O)CCCCCCCC=CC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-6-12-23-33-44-45(63-44)34-24-14-10-17-26-36-48(57)60-40-43(62-50(59)38-28-16-9-7-8-13-21-31-42(56)32-22-19-20-29-39-55)41-61-49(58)37-27-18-11-15-25-35-47-51(64-47)53-54-52(66-54)46(65-53)30-4-2/h12,21-23,31-32,42-47,51-56H,3-11,13-20,24-30,33-41H2,1-2H3/b23-12?,31-21?,32-22?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:12]=[CH:23][CH2:33][CH:44]1[CH:45]([CH2:34][CH2:24][CH2:14][CH2:10][CH2:17][CH2:26][CH2:36][C:48](=[O:57])[O:60][CH2:40][CH:43]([CH2:41][O:61][C:49]([CH2:37][CH2:27][CH2:18][CH2:11][CH2:15][CH2:25][CH2:35][CH:47]2[CH:51]([CH:53]3[CH:54]4[CH:52]([CH:46]([CH2:30][CH2:4][CH3:2])[O:65]3)[O:66]4)[O:64]2)=[O:58])[O:62][C:50]([CH2:38][CH2:28][CH2:16][CH2:9][CH2:7][CH2:8][CH2:13][CH:21]=[CH:31][CH:42]([CH:32]=[CH:22][CH2:19][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:59])[O:63]1 |
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