| Properties | Image |
|---|
| MNX_ID | MNXM1197399 |
 |
| reference | envipathM:...21aaf28081fb |
| formula | C54H96O14 |
| global charge | 0 |
| mol weight | 969.348 |
| InChIKey | DRLUUGNXTIUFPV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O14/c1-3-5-6-14-22-32-45(57)46(58)33-23-16-13-18-26-37-52(62)65-41-44(67-53(63)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-66-54(64)48(60)35-25-20-19-24-34-47(59)49(61)40-51-50(68-51)36-28-29-39-55/h9,11,14,21-22,31,43-51,55-61H,3-8,10,12-13,15-20,23-30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O14/c1-3-5-6-14-22-32-45(57)46(58)33-23-16-13-18-26-37-52(62)65-41-44(67-53(63)38-27-17-12-10-8-7-9-11-15-21-31-43(56)30-4-2)42-66-54(64)48(60)35-25-20-19-24-34-47(59)49(61)40-51-50(68-51)36-28-29-39-55/h9,11,14,21-22,31,43-51,55-61H,3-8,10,12-13,15-20,23-30,32-42H2,1-2H3/b11-9?,22-14?,31-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:22][CH2:32][CH:45]([CH:46]([CH2:33][CH2:23][CH2:16][CH2:13][CH2:18][CH2:26][CH2:37][C:52](=[O:62])[O:65][CH2:41][CH:44]([CH2:42][O:66][C:54]([CH:48]([CH2:35][CH2:25][CH2:20][CH2:19][CH2:24][CH2:34][CH:47]([CH:49]([CH2:40][CH:51]1[CH:50]([CH2:36][CH2:28][CH2:29][CH2:39][OH:55])[O:68]1)[OH:61])[OH:59])[OH:60])=[O:64])[O:67][C:53]([CH2:38][CH2:27][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:21]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])=[O:63])[OH:58])[OH:57] |
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