| Properties | Image |
|---|
| MNX_ID | MNXM108124 |
 |
| reference | chebi:68353 |
| formula | C31H46O5 |
| global charge | 0 |
| mol weight | 498.704 |
| InChIKey | KVAQLXUMUVEKGR-SMFZDKLCSA-N |
| InChI | InChI=1S/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1 |
| SMILES | C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C:20](=[CH2:5])[CH2:9][CH2:10][C@H:21]([C@H:27]1[C@H:25]([OH:32])[CH2:17][C@@:31]2([CH3:8])[C:24]3=[CH:12][CH2:11][C@@H:22]([C:19](=[CH2:3])[CH3:4])[C@:29]([CH3:6])([CH2:15][CH2:14][C:26](=[O:33])[OH:34])[C:23]3=[CH:13][CH2:16][C@:30]12[CH3:7])[C:28](=[O:35])[OH:36] |
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