| Properties | Image |
|---|
| MNX_ID | MNXM1175616 |
 |
| reference | envipathM:...ae77666d7fc5 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ZVVSDSAHHSHHAE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-37-54(61)64-43(41-62-52(59)35-23-19-14-16-21-31-46-47(65-46)33-27-26-30-44(57)45(58)40-56)42-63-53(60)36-24-20-15-17-22-32-48-50(66-48)39-51-49(67-51)34-28-29-38-55/h5-6,8-9,26-27,38,43-51,56-58H,2-4,7,10-25,28-37,39-42H2,1H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCC(O)C(O)CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-25-37-54(61)64-43(41-62-52(59)35-23-19-14-16-21-31-46-47(65-46)33-27-26-30-44(57)45(58)40-56)42-63-53(60)36-24-20-15-17-22-32-48-50(66-48)39-51-49(67-51)34-28-29-38-55/h5-6,8-9,26-27,38,43-51,56-58H,2-4,7,10-25,28-37,39-42H2,1H3/b6-5?,9-8?,27-26?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:7][CH:8]=[CH:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:18][CH2:25][CH2:37][C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:52]([CH2:35][CH2:23][CH2:19][CH2:14][CH2:16][CH2:21][CH2:31][CH:46]1[CH:47]([CH2:33][CH:27]=[CH:26][CH2:30][CH:44]([CH:45]([CH2:40][OH:56])[OH:58])[OH:57])[O:65]1)=[O:59])[CH2:42][O:63][C:53]([CH2:36][CH2:24][CH2:20][CH2:15][CH2:17][CH2:22][CH2:32][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:28][CH2:29][CH:38]=[O:55])[O:67]2)[O:66]1)=[O:60] |
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