| Properties | Image |
|---|
| MNX_ID | MNXM1194845 |
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| reference | envipathM:...62d2f22e96cb |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | HGOCOOHQRFCPSX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-13-22-31-45-46(65-45)32-23-16-11-18-25-34-51(58)62-39-43(64-54(61)53(60)44(57)29-21-15-10-14-20-28-42(56)37-36-41(55)27-6-3)40-63-52(59)35-26-19-12-17-24-33-48-50(67-48)38-49-47(66-49)30-8-5-2/h13,20,22,28,36-37,41-43,45-50,53,55-56,60H,4-12,14-19,21,23-27,29-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)C(=O)CCCCCC=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-13-22-31-45-46(65-45)32-23-16-11-18-25-34-51(58)62-39-43(64-54(61)53(60)44(57)29-21-15-10-14-20-28-42(56)37-36-41(55)27-6-3)40-63-52(59)35-26-19-12-17-24-33-48-50(67-48)38-49-47(66-49)30-8-5-2/h13,20,22,28,36-37,41-43,45-50,53,55-56,60H,4-12,14-19,21,23-27,29-35,38-40H2,1-3H3/b22-13?,28-20?,37-36?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:13]=[CH:22][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:23][CH2:16][CH2:11][CH2:18][CH2:25][CH2:34][C:51](=[O:58])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:52]([CH2:35][CH2:26][CH2:19][CH2:12][CH2:17][CH2:24][CH2:33][CH:48]2[CH:50]([CH2:38][CH:49]3[CH:47]([CH2:30][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:59])[O:64][C:54]([CH:53]([C:44]([CH2:29][CH2:21][CH2:15][CH2:10][CH2:14][CH:20]=[CH:28][CH:42]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])=[O:57])[OH:60])=[O:61])[O:65]1 |
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