| Properties | Image |
|---|
| MNX_ID | MNXM101525 |
 |
| reference | chebi:66671 |
| formula | C37H52O6 |
| global charge | 0 |
| mol weight | 592.817 |
| InChIKey | VGODRAUARQJBJM-FCWPOGGHSA-N |
| InChI | InChI=1S/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27-,28+,29-,34-,35+,36-,37+/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(=O)C6=CC=C(O)C=C6)C[C@@H](O)[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C37H52O6/c1-32(2)18-19-37(31(41)42)17-14-25-34(5)15-12-24-33(3,4)29(43-30(40)22-8-10-23(38)11-9-22)20-28(39)36(24,7)26(34)13-16-35(25,6)27(37)21-32/h8-11,14,24,26-29,38-39H,12-13,15-21H2,1-7H3,(H,41,42)/t24-,26-,27-,28+,29-,34-,35+,36-,37+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:32]1([CH3:2])[CH2:18][CH2:19][C@:37]2([C:31](=[O:41])[OH:42])[CH2:17][CH:14]=[C:25]3[C@:34]4([CH3:5])[CH2:15][CH2:12][C@H:24]5[C:33]([CH3:3])([CH3:4])[C@@H:29]([O:43][C:30]([C:22]6=[CH:9][CH:11]=[C:23]([OH:38])[CH:10]=[CH:8]6)=[O:40])[CH2:20][C@@H:28]([OH:39])[C@:36]5([CH3:7])[C@H:26]4[CH2:13][CH2:16][C@@:35]3([CH3:6])[C@@H:27]2[CH2:21]1 |
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