| Properties | Image |
|---|
| MNX_ID | MNXM13976 |
 |
| reference | metacycM:CPD-13669 |
| formula | C30H50O3 |
| global charge | 0 |
| mol weight | 458.727 |
| InChIKey | LOBOMSGBFMNHBJ-AQJOBQINSA-N |
| InChI | InChI=1S/C30H50O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20-24,31-33H,8-15,17-18H2,1-7H3/t20?,21-,22?,23+,24?,26+,27-,28+,29-,30-/m1/s1 |
| SMILES | CC1(C)C2CC[C@]3(C)C([C@H](O)C=C4C5C[C@@](C)(CO)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H50O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20-24,31-33H,8-15,17-18H2,1-7H3/t20?,21-,22?,23+,24?,26+,27-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH:22]2[CH2:8][CH2:11][C@:30]3([CH3:7])[CH:24]([C@H:21]([OH:32])[CH:16]=[C:19]4[CH:20]5[CH2:17][C@@:26]([CH3:3])([CH2:18][OH:31])[CH2:12][CH2:13][C@:27]5([CH3:4])[CH2:14][CH2:15][C@:29]43[CH3:6])[C@@:28]2([CH3:5])[CH2:10][CH2:9][C@@H:23]1[OH:33] |
|