| Properties | Image |
|---|
| MNX_ID | MNXM1190461 |
 |
| reference | envipathM:...0c9ac31811a9 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | JURBYQUDIPTSBF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-30-38-51(61)65-42(40-63-49(59)36-29-24-21-22-27-32-43(55)46(58)39-48-47(66-48)35-9-6-3)41-64-50(60)37-31-25-28-33-44(56)52(62)54-53(67-54)45(57)34-26-11-8-5-2/h12-13,15-16,42-48,52-58,62H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCC(O)C(O)C1OC1C(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-30-38-51(61)65-42(40-63-49(59)36-29-24-21-22-27-32-43(55)46(58)39-48-47(66-48)35-9-6-3)41-64-50(60)37-31-25-28-33-44(56)52(62)54-53(67-54)45(57)34-26-11-8-5-2/h12-13,15-16,42-48,52-58,62H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:30][CH2:38][C:51](=[O:61])[O:65][CH:42]([CH2:40][O:63][C:49]([CH2:36][CH2:29][CH2:24][CH2:21][CH2:22][CH2:27][CH2:32][CH:43]([CH:46]([CH2:39][CH:48]1[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:58])[OH:55])=[O:59])[CH2:41][O:64][C:50]([CH2:37][CH2:31][CH2:25][CH2:28][CH2:33][CH:44]([CH:52]([CH:54]1[CH:53]([CH:45]([CH2:34][CH2:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)[OH:62])[OH:56])=[O:60] |
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