| Properties | Image |
|---|
| MNX_ID | MNXM102884 |
 |
| reference | chebi:65456 |
| formula | C48H60O8 |
| global charge | 0 |
| mol weight | 765 |
| InChIKey | YBOIBOWMTWFCEG-AINGNVPBSA-N |
| InChI | InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12-/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(COC(=O)/C=C/C4=CC=C(O)C=C4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12-/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:43]1([CH3:2])[CH2:25][CH2:26][C@:47]2([C:42](=[O:53])[OH:54])[CH2:27][CH2:28][C@:48]3([CH2:30][O:55][C:40](/[CH:19]=[CH:11]/[C:31]4=[CH:8][CH:14]=[C:33]([OH:49])[CH:13]=[CH:7]4)=[O:51])[C:35](=[CH:17][CH2:18][C@@H:38]4[C@@:45]5([CH3:5])[CH2:23][CH2:22][C@H:39]([O:56][C:41](/[CH:20]=[CH:12]\[C:32]6=[CH:10][CH:16]=[C:34]([OH:50])[CH:15]=[CH:9]6)=[O:52])[C:44]([CH3:3])([CH3:4])[C@@H:37]5[CH2:21][CH2:24][C@:46]43[CH3:6])[C@@H:36]2[CH2:29]1 |
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