| Properties | Image |
|---|
| MNX_ID | MNXM1170930 |
 |
| reference | envipathM:...19ee7020b6e0 |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | SRMAAUQQVOQMIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-4-7-33-48-50(64-48)40-51-49(65-51)35-24-18-15-21-26-38-53(58)61-42-45(62-54(59)39-27-19-13-11-9-8-10-12-16-22-31-43(55)29-5-2)41-60-52(57)37-25-20-14-17-23-34-46-47(63-46)36-28-32-44(56)30-6-3/h22,28,31-32,45-51H,4-21,23-27,29-30,33-42H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(=O)CCC)OC(=O)CCCCCCCCCCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-4-7-33-48-50(64-48)40-51-49(65-51)35-24-18-15-21-26-38-53(58)61-42-45(62-54(59)39-27-19-13-11-9-8-10-12-16-22-31-43(55)29-5-2)41-60-52(57)37-25-20-14-17-23-34-46-47(63-46)36-28-32-44(56)30-6-3/h22,28,31-32,45-51H,4-21,23-27,29-30,33-42H2,1-3H3/b31-22?,32-28?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:35][CH2:24][CH2:18][CH2:15][CH2:21][CH2:26][CH2:38][C:53](=[O:58])[O:61][CH2:42][CH:45]([CH2:41][O:60][C:52]([CH2:37][CH2:25][CH2:20][CH2:14][CH2:17][CH2:23][CH2:34][CH:46]3[CH:47]([CH2:36][CH:28]=[CH:32][C:44]([CH2:30][CH2:6][CH3:3])=[O:56])[O:63]3)=[O:57])[O:62][C:54]([CH2:39][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:16][CH:22]=[CH:31][C:43]([CH2:29][CH2:5][CH3:2])=[O:55])=[O:59])[O:65]2)[O:64]1 |
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