| Properties | Image |
|---|
| MNX_ID | MNXM108672 |
 |
| reference | chebi:69690 |
| formula | C30H40O5 |
| global charge | 0 |
| mol weight | 480.645 |
| InChIKey | FOQBZJXMAZZAIA-NQWLPLNFSA-N |
| InChI | InChI=1S/C30H40O5/c1-7-18-13-19-21-25(6,33)16-34-30-23(32)29(21,17(2)3)22(31)26(14-18)12-9-20-24(4,5)10-8-11-27(20,35-30)15-28(19,26)30/h7,13,17,19-21,33H,1,8-12,14-16H2,2-6H3/t19-,20+,21+,25-,26+,27+,28+,29-,30+/m1/s1 |
| SMILES | C=CC1=C[C@@H]2[C@@H]3[C@]4(C(C)C)C(=O)[C@]5(CC[C@H]6C(C)(C)CCC[C@]67C[C@]25[C@@](OC[C@@]3(C)O)(O7)C4=O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H40O5/c1-7-18-13-19-21-25(6,33)16-34-30-23(32)29(21,17(2)3)22(31)26(14-18)12-9-20-24(4,5)10-8-11-27(20,35-30)15-28(19,26)30/h7,13,17,19-21,33H,1,8-12,14-16H2,2-6H3/t19-,20+,21+,25-,26+,27+,28+,29?,30+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:7][C:18]1=[CH:13][C@@H:19]2[C@H:21]3[C@:25]([CH3:6])([OH:33])[CH2:16][O:34][C@:30]45[C:23](=[O:32])[C@@:29]3([CH:17]([CH3:2])[CH3:3])[C:22](=[O:31])[C@:26]3([CH2:12][CH2:9][C@H:20]6[C:24]([CH3:4])([CH3:5])[CH2:10][CH2:8][CH2:11][C@@:27]6([CH2:15][C@:28]234)[O:35]5)[CH2:14]1 |
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