| Properties | Image |
|---|
| MNX_ID | MNXM1172855 |
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| reference | envipathM:...06e5401461df |
| formula | C54H98O13 |
| global charge | 0 |
| mol weight | 955.365 |
| InChIKey | OSDLOLTXNXMVOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(62)66-43(41-64-50(60)37-30-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-65-51(61)38-31-26-25-29-36-47(58)54-49(67-54)40-48(59)53(63)46(57)33-6-3/h14-15,21,27,43-49,53-59,63H,4-13,16-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(62)66-43(41-64-50(60)37-30-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-65-51(61)38-31-26-25-29-36-47(58)54-49(67-54)40-48(59)53(63)46(57)33-6-3/h14-15,21,27,43-49,53-59,63H,4-13,16-20,22-26,28-42H2,1-3H3/b15-14?,27-21?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:32][CH2:39][C:52](=[O:62])[O:66][CH:43]([CH2:41][O:64][C:50]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:28][CH2:35][CH:45]([CH:44]([CH2:34][CH:27]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:60])[CH2:42][O:65][C:51]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:29][CH2:36][CH:47]([CH:54]1[CH:49]([CH2:40][CH:48]([CH:53]([CH:46]([CH2:33][CH2:6][CH3:3])[OH:57])[OH:63])[OH:59])[O:67]1)[OH:58])=[O:61] |
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