| Properties | Image |
|---|
| MNX_ID | MNXM47881 |
 |
| reference | chebi:3950 |
| formula | C30H46O7 |
| global charge | 0 |
| mol weight | 518.691 |
| InChIKey | AOHIGMQGPFTKQX-SSGGGWRTSA-N |
| InChI | InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1 |
| SMILES | CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+/t17-,18-,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]([CH3:2])(/[CH:12]=[CH:11]/[C:21]([C@@:30]([CH3:8])([C@H:23]1[C@H:19]([OH:32])[CH2:14][C@@:27]2([CH3:5])[C@@H:20]3[CH2:10][CH:9]=[C:16]4[C@@H:17]([CH2:13][C@@H:18]([OH:31])[C@@H:24]([OH:35])[C:26]4([CH3:3])[CH3:4])[C@:29]3([CH3:7])[C:22](=[O:34])[CH2:15][C@:28]12[CH3:6])[OH:37])=[O:33])[OH:36] |
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