| Properties | Image |
|---|
| MNX_ID | MNXM1185670 |
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| reference | envipathM:...789313ea6b41 |
| formula | C54H98O13 |
| global charge | 0 |
| mol weight | 955.365 |
| InChIKey | ZCJAUHUIOUEMLB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-51(60)66-44(42-65-50(59)39-29-25-20-22-27-36-47-48(67-47)37-31-33-43(55)32-6-3)41-64-49(58)38-28-24-19-21-26-35-46(57)53(62)54(63)52(61)45(56)34-8-5-2/h13-14,31,33,43-48,52-57,61-63H,4-12,15-30,32,34-42H2,1-3H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C(O)C(O)CCCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-51(60)66-44(42-65-50(59)39-29-25-20-22-27-36-47-48(67-47)37-31-33-43(55)32-6-3)41-64-49(58)38-28-24-19-21-26-35-46(57)53(62)54(63)52(61)45(56)34-8-5-2/h13-14,31,33,43-48,52-57,61-63H,4-12,15-30,32,34-42H2,1-3H3/b14-13?,33-31?/t43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:23][CH2:30][CH2:40][C:51](=[O:60])[O:66][CH:44]([CH2:41][O:64][C:49]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:35][CH:46]([CH:53]([CH:54]([CH:52]([CH:45]([CH2:34][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])[OH:63])[OH:62])[OH:57])=[O:58])[CH2:42][O:65][C:50]([CH2:39][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:36][CH:47]1[CH:48]([CH2:37][CH:31]=[CH:33][CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[O:67]1)=[O:59] |
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