| Properties | Image |
|---|
| MNX_ID | MNXM1193941 |
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| reference | envipathM:...685248d58a4e |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | NGFATHMPPRQKOF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-30-38-51(59)63-42(40-61-49(57)36-29-24-21-22-28-35-46-53(65-46)44(56)33-26-11-8-5-2)41-62-50(58)37-31-25-27-32-43(55)52(60)54-48(66-54)39-47-45(64-47)34-9-6-3/h26,33,42-48,52-56,60H,4-25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-30-38-51(59)63-42(40-61-49(57)36-29-24-21-22-28-35-46-53(65-46)44(56)33-26-11-8-5-2)41-62-50(58)37-31-25-27-32-43(55)52(60)54-48(66-54)39-47-45(64-47)34-9-6-3/h26,33,42-48,52-56,60H,4-25,27-32,34-41H2,1-3H3/b33-26?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:30][CH2:38][C:51](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:49]([CH2:36][CH2:29][CH2:24][CH2:21][CH2:22][CH2:28][CH2:35][CH:46]1[CH:53]([CH:44]([CH:33]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:65]1)=[O:57])[CH2:41][O:62][C:50]([CH2:37][CH2:31][CH2:25][CH2:27][CH2:32][CH:43]([CH:52]([CH:54]1[CH:48]([CH2:39][CH:47]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:64]2)[O:66]1)[OH:60])[OH:55])=[O:58] |
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