| Properties | Image |
|---|
| MNX_ID | MNXM1196142 |
 |
| reference | envipathM:...4fc0b8bdfc45 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | CZVHTUBFIJDTMH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-23-31-43(55)32-24-17-13-12-14-20-30-39-53(60)64-44(41-62-51(58)37-28-21-15-18-26-34-46(57)54(61)45(56)33-25-11-8-5-2)42-63-52(59)38-29-22-16-19-27-36-48-50(66-48)40-49-47(65-49)35-9-6-3/h24-25,32-33,43-50,54-57,61H,4-23,26-31,34-42H2,1-3H3 |
| SMILES | CCCCC=CC(O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-23-31-43(55)32-24-17-13-12-14-20-30-39-53(60)64-44(41-62-51(58)37-28-21-15-18-26-34-46(57)54(61)45(56)33-25-11-8-5-2)42-63-52(59)38-29-22-16-19-27-36-48-50(66-48)40-49-47(65-49)35-9-6-3/h24-25,32-33,43-50,54-57,61H,4-23,26-31,34-42H2,1-3H3/b32-24?,33-25?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:23][CH2:31][CH:43]([CH:32]=[CH:24][CH2:17][CH2:13][CH2:12][CH2:14][CH2:20][CH2:30][CH2:39][C:53](=[O:60])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:28][CH2:21][CH2:15][CH2:18][CH2:26][CH2:34][CH:46]([CH:54]([CH:45]([CH:33]=[CH:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])[OH:57])=[O:58])[CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:22][CH2:16][CH2:19][CH2:27][CH2:36][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:59])[OH:55] |
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