| Properties | Image |
|---|
| MNX_ID | MNXM1177688 |
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| reference | envipathM:...7b9a0ebe03ce |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | GAWVPFCIVKIPFG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-21-29-41(55)30-22-15-13-12-14-16-28-37-51(61)64-42(40-63-50(60)36-27-20-18-25-33-45(58)54-53(67-54)44(57)32-23-11-8-5-2)39-62-49(59)35-26-19-17-24-31-43(56)52-48(66-52)38-47-46(65-47)34-9-6-3/h21-23,29-30,32,42-48,52-54,56-58H,4-20,24-28,31,33-40H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-21-29-41(55)30-22-15-13-12-14-16-28-37-51(61)64-42(40-63-50(60)36-27-20-18-25-33-45(58)54-53(67-54)44(57)32-23-11-8-5-2)39-62-49(59)35-26-19-17-24-31-43(56)52-48(66-52)38-47-46(65-47)34-9-6-3/h21-23,29-30,32,42-48,52-54,56-58H,4-20,24-28,31,33-40H2,1-3H3/b29-21?,30-22?,32-23?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:21]=[CH:29][C:41]([CH:30]=[CH:22][CH2:15][CH2:13][CH2:12][CH2:14][CH2:16][CH2:28][CH2:37][C:51](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:26][CH2:19][CH2:17][CH2:24][CH2:31][CH:43]([CH:52]1[CH:48]([CH2:38][CH:47]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:56])=[O:59])[CH2:40][O:63][C:50]([CH2:36][CH2:27][CH2:20][CH2:18][CH2:25][CH2:33][CH:45]([CH:54]1[CH:53]([CH:44]([CH:32]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)[OH:58])=[O:60])=[O:55] |
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