| Properties | Image |
|---|
| MNX_ID | MNXM1174467 |
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| reference | envipathM:...0b559de37a29 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | OVCFHNAUAASVSZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-19-24-30-43(56)52(60)54(61)64-42(39-62-50(58)34-27-22-17-20-25-32-46-49(66-46)38-48-45(65-48)31-8-5-2)40-63-51(59)35-28-23-18-21-26-33-47-53(67-47)44(57)37-36-41(55)29-6-3/h10-11,13-14,36-37,41-49,53,55-57H,4-9,12,15-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-10-11-12-13-14-15-16-19-24-30-43(56)52(60)54(61)64-42(39-62-50(58)34-27-22-17-20-25-32-46-49(66-46)38-48-45(65-48)31-8-5-2)40-63-51(59)35-28-23-18-21-26-33-47-53(67-47)44(57)37-36-41(55)29-6-3/h10-11,13-14,36-37,41-49,53,55-57H,4-9,12,15-35,38-40H2,1-3H3/b11-10?,14-13?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:19][CH2:24][CH2:30][CH:43]([C:52]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:34][CH2:27][CH2:22][CH2:17][CH2:20][CH2:25][CH2:32][CH:46]1[CH:49]([CH2:38][CH:48]2[CH:45]([CH2:31][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:58])[CH2:40][O:63][C:51]([CH2:35][CH2:28][CH2:23][CH2:18][CH2:21][CH2:26][CH2:33][CH:47]1[CH:53]([CH:44]([CH:37]=[CH:36][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[OH:57])[O:67]1)=[O:59])=[O:60])[OH:56] |
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