| Properties | Image |
|---|
| MNX_ID | MNXM1174863 |
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| reference | envipathM:...836a9438febc |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | IDLLGSUPRWBQCE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-16-21-29-41(55)30-22-19-20-26-37-51(58)64-42(39-62-50(57)36-25-18-14-17-24-34-45-44(65-45)33-23-15-11-8-5-2)40-63-54(61)53(60)52(59)43(56)31-27-28-35-47-49(67-47)38-48-46(66-48)32-9-6-3/h12-13,15,21,23,29,41-49,53,55-56,60H,4-11,14,16-20,22,24-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)C(=O)C(O)CCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-16-21-29-41(55)30-22-19-20-26-37-51(58)64-42(39-62-50(57)36-25-18-14-17-24-34-45-44(65-45)33-23-15-11-8-5-2)40-63-54(61)53(60)52(59)43(56)31-27-28-35-47-49(67-47)38-48-46(66-48)32-9-6-3/h12-13,15,21,23,29,41-49,53,55-56,60H,4-11,14,16-20,22,24-28,30-40H2,1-3H3/b13-12?,23-15?,29-21?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:21]=[CH:29][CH:41]([CH2:30][CH2:22][CH2:19][CH2:20][CH2:26][CH2:37][C:51](=[O:58])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:25][CH2:18][CH2:14][CH2:17][CH2:24][CH2:34][CH:45]1[CH:44]([CH2:33][CH:23]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:40][O:63][C:54]([CH:53]([C:52]([CH:43]([CH2:31][CH2:27][CH2:28][CH2:35][CH:47]1[CH:49]([CH2:38][CH:48]2[CH:46]([CH2:32][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:56])=[O:59])[OH:60])=[O:61])[OH:55] |
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