| Properties | Image |
|---|
| MNX_ID | MNXM1195431 |
 |
| reference | envipathM:...af8535c70ecf |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | VMSCZGACCPKPME-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-3-5-33-48-50(64-48)41-51-49(65-51)35-25-19-17-22-27-38-53(58)61-43-45(62-54(59)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)42-60-52(57)37-26-21-16-18-24-34-46-47(63-46)36-30-32-44(56)31-4-2/h6-7,11,13,30,32,45-51,55H,3-5,8-10,12,14-29,31,33-43H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-3-5-33-48-50(64-48)41-51-49(65-51)35-25-19-17-22-27-38-53(58)61-43-45(62-54(59)39-28-20-14-12-10-8-6-7-9-11-13-15-23-29-40-55)42-60-52(57)37-26-21-16-18-24-34-46-47(63-46)36-30-32-44(56)31-4-2/h6-7,11,13,30,32,45-51,55H,3-5,8-10,12,14-29,31,33-43H2,1-2H3/b7-6?,13-11?,32-30?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:35][CH2:25][CH2:19][CH2:17][CH2:22][CH2:27][CH2:38][C:53](=[O:58])[O:61][CH2:43][CH:45]([CH2:42][O:60][C:52]([CH2:37][CH2:26][CH2:21][CH2:16][CH2:18][CH2:24][CH2:34][CH:46]3[CH:47]([CH2:36][CH:30]=[CH:32][C:44]([CH2:31][CH2:4][CH3:2])=[O:56])[O:63]3)=[O:57])[O:62][C:54]([CH2:39][CH2:28][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH:6]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH2:23][CH2:29][CH2:40][OH:55])=[O:59])[O:65]2)[O:64]1 |
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