| Properties | Image |
|---|
| MNX_ID | MNXM1196040 |
 |
| reference | envipathM:...65e8cafa187a |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | MDHGTJCBUKOXKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(60)63-43(41-61-50(58)36-27-22-20-24-32-44(56)53-47(65-53)35-26-18-8-6-4-2)42-62-51(59)37-28-23-21-25-33-45(57)54-49(66-54)40-48-46(64-48)34-30-31-39-55/h9-10,12-13,18,26,43,45-49,53-55,57H,3-8,11,14-17,19-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(60)63-43(41-61-50(58)36-27-22-20-24-32-44(56)53-47(65-53)35-26-18-8-6-4-2)42-62-51(59)37-28-23-21-25-33-45(57)54-49(66-54)40-48-46(64-48)34-30-31-39-55/h9-10,12-13,18,26,43,45-49,53-55,57H,3-8,11,14-17,19-25,27-42H2,1-2H3/b10-9?,13-12?,26-18?/t43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:29][CH2:38][C:52](=[O:60])[O:63][CH:43]([CH2:41][O:61][C:50]([CH2:36][CH2:27][CH2:22][CH2:20][CH2:24][CH2:32][C:44]([CH:53]1[CH:47]([CH2:35][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:65]1)=[O:56])=[O:58])[CH2:42][O:62][C:51]([CH2:37][CH2:28][CH2:23][CH2:21][CH2:25][CH2:33][CH:45]([CH:54]1[CH:49]([CH2:40][CH:48]2[CH:46]([CH2:34][CH2:30][CH2:31][CH2:39][OH:55])[O:64]2)[O:66]1)[OH:57])=[O:59] |
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