| Properties | Image |
|---|
| MNX_ID | MNXM1173779 |
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| reference | envipathM:...4d93bfd03480 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FGWHWTPANOMYAM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-29-35-46(58)54(62)65-42(40-63-50(59)37-30-23-20-22-27-33-44(56)52(61)43(55)32-26-11-8-5-2)41-64-51(60)38-31-25-24-28-34-45(57)53-49(67-53)39-48-47(66-48)36-9-6-3/h12-13,15-16,26,32,42-44,46-49,52-53,55-56,58,61H,4-11,14,17-25,27-31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C=CCCCC)COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-29-35-46(58)54(62)65-42(40-63-50(59)37-30-23-20-22-27-33-44(56)52(61)43(55)32-26-11-8-5-2)41-64-51(60)38-31-25-24-28-34-45(57)53-49(67-53)39-48-47(66-48)36-9-6-3/h12-13,15-16,26,32,42-44,46-49,52-53,55-56,58,61H,4-11,14,17-25,27-31,33-41H2,1-3H3/b13-12?,16-15?,32-26?/t42?,43?,44?,46?,47?,48?,49?,52?,53? |
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| 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][CH2:21][CH2:29][CH2:35][CH:46]([C:54](=[O:62])[O:65][CH:42]([CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:23][CH2:20][CH2:22][CH2:27][CH2:33][CH:44]([CH:52]([CH:43]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:61])[OH:56])=[O:59])[CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:25][CH2:24][CH2:28][CH2:34][C:45]([CH:53]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:57])=[O:60])[OH:58] |
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