| Properties | Image |
|---|
| MNX_ID | MNXM114033 |
 |
| reference | chebi:66505 |
| formula | C29H42O6 |
| global charge | 0 |
| mol weight | 486.649 |
| InChIKey | LVFHKUZOQUATIE-NIQDNRFFSA-N |
| InChI | InChI=1S/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18-,19+,20+,21-,26+,28+,29-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C29H42O6/c1-14(16(3)27(34)35)7-8-15(2)18-9-10-19-23-22(31)13-20-17(4)21(30)11-12-28(20,5)24(23)25(32)26(33)29(18,19)6/h15-21,26,30,33H,1,7-13H2,2-6H3,(H,34,35)/t15-,16?,17+,18-,19+,20+,21-,26+,28+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:14]([CH2:7][CH2:8][C@@H:15]([CH3:2])[C@H:18]1[CH2:9][CH2:10][C@H:19]2[C:23]3=[C:24]([C:25](=[O:32])[C@H:26]([OH:33])[C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:12][CH2:11][C@@H:21]([OH:30])[C@@H:17]([CH3:4])[C@@H:20]1[CH2:13][C:22]3=[O:31])[CH:16]([CH3:3])[C:27](=[O:34])[OH:35] |
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