| Properties | Image |
|---|
| MNX_ID | MNXM1187639 |
 |
| reference | envipathM:...4ccf54301836 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | NFNLRHQTHVPDCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(60)65-42(41-64-54(62)45(57)34-27-24-25-29-36-48-53(67-48)44(56)33-26-10-8-5-2)40-63-50(59)37-30-23-20-21-28-35-47-49(66-47)39-46(58)52(61)43(55)32-6-3/h14-15,26,33,42-49,52-53,55-58,61H,4-13,16-25,27-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(60)65-42(41-64-54(62)45(57)34-27-24-25-29-36-48-53(67-48)44(56)33-26-10-8-5-2)40-63-50(59)37-30-23-20-21-28-35-47-49(66-47)39-46(58)52(61)43(55)32-6-3/h14-15,26,33,42-49,52-53,55-58,61H,4-13,16-25,27-32,34-41H2,1-3H3/b15-14?,33-26?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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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][CH2:22][CH2:31][CH2:38][C:51](=[O:60])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:23][CH2:20][CH2:21][CH2:28][CH2:35][CH:47]1[CH:49]([CH2:39][CH:46]([CH:52]([CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[OH:61])[OH:58])[O:66]1)=[O:59])[CH2:41][O:64][C:54]([CH:45]([CH2:34][CH2:27][CH2:24][CH2:25][CH2:29][CH2:36][CH:48]1[CH:53]([CH:44]([CH:33]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:67]1)[OH:57])=[O:62] |
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