| Properties | Image |
|---|
| MNX_ID | MNXM103475 |
 |
| reference | chebi:70305 |
| formula | C30H44O5 |
| global charge | 0 |
| mol weight | 484.677 |
| InChIKey | KREJDSDDOCJSGN-VFJZLOOJSA-N |
| InChI | InChI=1S/C30H44O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22,24,32H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,24+,29+,30-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)C(C)C(=O)OC |
MNX internals
| InChI (mnx) | InChI=1/C30H44O5/c1-16(18(3)28(34)35-7)8-9-17(2)20-10-11-21-26-24(32)14-22-19(4)23(31)12-13-29(22,5)27(26)25(33)15-30(20,21)6/h17-22,24,32H,1,8-15H2,2-7H3/t17-,18?,19+,20-,21+,22+,24+,29+,30-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:16]([CH2:8][CH2:9][C@@H:17]([CH3:2])[C@H:20]1[CH2:10][CH2:11][C@H:21]2[C:26]3=[C:27]([C:25](=[O:33])[CH2:15][C@:30]12[CH3:6])[C@@:29]1([CH3:5])[CH2:13][CH2:12][C:23](=[O:31])[C@@H:19]([CH3:4])[C@@H:22]1[CH2:14][C@@H:24]3[OH:32])[CH:18]([CH3:3])[C:28](=[O:34])[O:35][CH3:7] |
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