CID 484415
Schembl29669719
Structural Information
- Molecular Formula
- C21H32O2
- SMILES
- CC(C)C1=C2CC[C@@H]3[C@@](C2=CC(=C1OC)O)(CCCC3(C)C)C
- InChI
- InChI=1S/C21H32O2/c1-13(2)18-14-8-9-17-20(3,4)10-7-11-21(17,5)15(14)12-16(22)19(18)23-6/h12-13,17,22H,7-11H2,1-6H3/t17-,21+/m0/s1
- InChIKey
- CVICMBZNMAWODO-LAUBAEHRSA-N
- Compound name
- (4bS,8aS)-2-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 317.24751 | 177.9 |
[M+Na]+ | 339.22945 | 184.6 |
[M-H]- | 315.23295 | 181.2 |
[M+NH4]+ | 334.27405 | 198.5 |
[M+K]+ | 355.20339 | 180.5 |
[M+H-H2O]+ | 299.23749 | 171.8 |
[M+HCOO]- | 361.23843 | 189.7 |
[M+CH3COO]- | 375.25408 | 211.4 |
[M+Na-2H]- | 337.21490 | 179.1 |
[M]+ | 316.23968 | 176.6 |
[M]- | 316.24078 | 176.6 |