| Properties | Image |
|---|
| MNX_ID | MNXM1192969 |
 |
| reference | envipathM:...57fe2c9d51be |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | RFHBHWJAMUSUTK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-50(59)64-43(41-62-48(57)38-31-26-21-23-29-35-45(56)51(60)44(55)34-28-11-8-5-2)42-63-49(58)39-32-27-22-24-30-37-47-54(66-47)52(61)53-46(65-53)36-9-6-3/h12-13,15-16,43-44,46-47,51-55,60-61H,4-11,14,17-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(=O)C(O)C(O)CCCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-50(59)64-43(41-62-48(57)38-31-26-21-23-29-35-45(56)51(60)44(55)34-28-11-8-5-2)42-63-49(58)39-32-27-22-24-30-37-47-54(66-47)52(61)53-46(65-53)36-9-6-3/h12-13,15-16,43-44,46-47,51-55,60-61H,4-11,14,17-42H2,1-3H3/b13-12?,16-15?/t43?,44?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:25][CH2:33][CH2:40][C:50](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:48]([CH2:38][CH2:31][CH2:26][CH2:21][CH2:23][CH2:29][CH2:35][C:45]([CH:51]([CH:44]([CH2:34][CH2:28][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:60])=[O:56])=[O:57])[CH2:42][O:63][C:49]([CH2:39][CH2:32][CH2:27][CH2:22][CH2:24][CH2:30][CH2:37][CH:47]1[CH:54]([CH:52]([CH:53]2[CH:46]([CH2:36][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:61])[O:66]1)=[O:58] |
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