| Properties | Image |
|---|
| MNX_ID | MNXM102443 |
 |
| reference | chebi:69588 |
| formula | C29H44O3 |
| global charge | 0 |
| mol weight | 440.668 |
| InChIKey | XWVVPZWKCNXREE-VSQYQUPVSA-N |
| InChI | InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1 |
| SMILES | C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:18]1[CH2:9][CH2:14][C@:29]2([C:24](=[O:31])[OH:32])[CH2:16][CH2:15][C@:27]3([CH3:5])[C:19](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:4])[CH2:12][CH2:11][C@H:23]([OH:30])[C:25]([CH3:2])([CH3:3])[C@@H:21]5[CH2:10][CH2:13][C@:28]43[CH3:6])[C@@H:20]2[CH2:17]1 |
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