| Properties | Image |
|---|
| MNX_ID | MNXM1195904 |
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| reference | envipathM:...956f56c05360 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | RJRZXXVVTIZNNR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-26-33-44(56)52-45(64-52)35-27-20-18-23-29-37-48(57)61-41-43(63-50(59)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-49(58)38-30-24-19-21-28-36-47-54(66-47)51(60)53-46(65-53)34-6-4-2/h13,15,43-47,51-56,60H,3-12,14,16-42H2,1-2H3 |
| SMILES | CCCCCCC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-26-33-44(56)52-45(64-52)35-27-20-18-23-29-37-48(57)61-41-43(63-50(59)39-31-22-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-49(58)38-30-24-19-21-28-36-47-54(66-47)51(60)53-46(65-53)34-6-4-2/h13,15,43-47,51-56,60H,3-12,14,16-42H2,1-2H3/b15-13?/t43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:26][CH2:33][CH:44]([CH:52]1[CH:45]([CH2:35][CH2:27][CH2:20][CH2:18][CH2:23][CH2:29][CH2:37][C:48](=[O:57])[O:61][CH2:41][CH:43]([CH2:42][O:62][C:49]([CH2:38][CH2:30][CH2:24][CH2:19][CH2:21][CH2:28][CH2:36][CH:47]2[CH:54]([CH:51]([CH:53]3[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]3)[OH:60])[O:66]2)=[O:58])[O:63][C:50]([CH2:39][CH2:31][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:59])[O:64]1)[OH:56] |
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