| Properties | Image |
|---|
| MNX_ID | MNXM1196934 |
 |
| reference | envipathM:...d9531e8c35ff |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | SMZPCWBPWLDLRS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-38-48(59)64-41(40-63-47(58)37-31-25-27-32-42(55)49(60)52-45(65-52)35-28-21-11-8-5-2)39-62-46(57)36-29-24-23-26-33-43(56)51-54(67-51)50(61)53-44(66-53)34-9-6-3/h12-13,15-16,21,28,41-45,50-56,61H,4-11,14,17-20,22-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC)COC(=O)CCCCCC(O)C(=O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-30-38-48(59)64-41(40-63-47(58)37-31-25-27-32-42(55)49(60)52-45(65-52)35-28-21-11-8-5-2)39-62-46(57)36-29-24-23-26-33-43(56)51-54(67-51)50(61)53-44(66-53)34-9-6-3/h12-13,15-16,21,28,41-45,50-56,61H,4-11,14,17-20,22-27,29-40H2,1-3H3/b13-12?,16-15?,28-21?/t41?,42?,43?,44?,45?,50?,51?,52?,53?,54? |
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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][CH2:20][CH2:22][CH2:30][CH2:38][C:48](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:46]([CH2:36][CH2:29][CH2:24][CH2:23][CH2:26][CH2:33][CH:43]([CH:51]1[CH:54]([CH:50]([CH:53]2[CH:44]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)[OH:56])=[O:57])[CH2:40][O:63][C:47]([CH2:37][CH2:31][CH2:25][CH2:27][CH2:32][CH:42]([C:49]([CH:52]1[CH:45]([CH2:35][CH:28]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:60])[OH:55])=[O:58] |
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