| Properties | Image |
|---|
| MNX_ID | MNXM151945 |
 |
| reference | chebi:228850 |
| formula | C30H48O3 |
| global charge | 0 |
| mol weight | 456.711 |
| InChIKey | BZXULBWGROURAF-IKNLXHIFSA-N |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,26+,27+,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:14][CH2:15][C@:26]2([CH3:3])[CH2:16][CH2:17][C@:28]3([CH3:5])[C:19](=[CH:8][CH2:9][C@@H:21]4[C@@:27]5([CH3:4])[CH2:12][CH2:11][C@@H:23]([OH:31])[C@:30]([CH3:7])([C:24](=[O:32])[OH:33])[C@@H:22]5[CH2:10][CH2:13][C@:29]43[CH3:6])[C@@H:20]2[CH2:18]1 |
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