| Properties | Image |
|---|
| MNX_ID | MNXM1188672 |
 |
| reference | envipathM:...fa1b7c8f50e1 |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | RWURDNBXQBFGKN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-53(60)64-44(41-62-52(59)38-28-22-19-20-27-36-48-49(65-48)37-30-32-43(55)31-6-3)42-63-54(61)46(57)34-26-24-23-25-33-45(56)47(58)40-51-50(66-51)35-8-5-2/h30,32,43-51,55-58H,4-29,31,33-42H2,1-3H3 |
| SMILES | CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-53(60)64-44(41-62-52(59)38-28-22-19-20-27-36-48-49(65-48)37-30-32-43(55)31-6-3)42-63-54(61)46(57)34-26-24-23-25-33-45(56)47(58)40-51-50(66-51)35-8-5-2/h30,32,43-51,55-58H,4-29,31,33-42H2,1-3H3/b32-30?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:29][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:41][O:62][C:52]([CH2:38][CH2:28][CH2:22][CH2:19][CH2:20][CH2:27][CH2:36][CH:48]1[CH:49]([CH2:37][CH:30]=[CH:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])[O:65]1)=[O:59])[CH2:42][O:63][C:54]([CH:46]([CH2:34][CH2:26][CH2:24][CH2:23][CH2:25][CH2:33][CH:45]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:58])[OH:56])[OH:57])=[O:61] |
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