| Properties | Image |
|---|
| MNX_ID | MNXM103273 |
 |
| reference | chebi:67583 |
| formula | C29H40O5 |
| global charge | 0 |
| mol weight | 468.634 |
| InChIKey | SNCMVKNGLNUISS-GCWSBASFSA-N |
| InChI | InChI=1S/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]34C(=O)O[C@]5(CC[C@@H]3[C@@H]12)[C@@]4(C)CC[C@]12O[C@]51[C@@H](C)CC2(C)C |
MNX internals
| InChI (mnx) | InChI=1/C29H40O5/c1-16(2)18-7-9-25(21(30)31)12-13-26-19(20(18)25)8-10-28(33-22(26)32)24(26,6)11-14-27-23(4,5)15-17(3)29(27,28)34-27/h17-20H,1,7-15H2,2-6H3,(H,30,31)/t17-,18-,19+,20+,24-,25-,26+,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:16]([CH3:2])[C@@H:18]1[CH2:7][CH2:9][C@:25]2([C:21](=[O:30])[OH:31])[CH2:12][CH2:13][C@:26]34[C@H:19]([CH2:8][CH2:10][C@:28]5([C@@:24]3([CH3:6])[CH2:11][CH2:14][C@@:27]36[C:23]([CH3:4])([CH3:5])[CH2:15][C@H:17]([CH3:3])[C@:29]35[O:34]6)[O:33][C:22]4=[O:32])[C@@H:20]12 |
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