| Properties | Image |
|---|
| MNX_ID | MNXM1178918 |
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| reference | envipathM:...cf5628633473 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | DAVYCPZPGRYNNL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-20-25-31-42(55)51(58)52(59)54(61)64-41(40-63-53(60)43(56)32-26-23-24-29-35-45-44(65-45)34-27-19-11-8-5-2)39-62-50(57)37-30-22-18-21-28-36-47-49(67-47)38-48-46(66-48)33-9-6-3/h12-13,19,27,41-49,51-52,55-56,58-59H,4-11,14-18,20-26,28-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCC(O)C(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-20-25-31-42(55)51(58)52(59)54(61)64-41(40-63-53(60)43(56)32-26-23-24-29-35-45-44(65-45)34-27-19-11-8-5-2)39-62-50(57)37-30-22-18-21-28-36-47-49(67-47)38-48-46(66-48)33-9-6-3/h12-13,19,27,41-49,51-52,55-56,58-59H,4-11,14-18,20-26,28-40H2,1-3H3/b13-12?,27-19?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,51?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:25][CH2:31][CH:42]([CH:51]([CH:52]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:50]([CH2:37][CH2:30][CH2:22][CH2:18][CH2:21][CH2:28][CH2:36][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)=[O:57])[CH2:40][O:63][C:53]([CH:43]([CH2:32][CH2:26][CH2:23][CH2:24][CH2:29][CH2:35][CH:45]1[CH:44]([CH2:34][CH:27]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:56])=[O:60])[OH:59])[OH:58])[OH:55] |
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