CID 484437
Aajtutmrolcksb-dqldelgasa-n
Structural Information
- Molecular Formula
- C21H32O2
- SMILES
- CC(C)C1=C(C=CC2=C1[C@@](C[C@@H]3[C@@]2(CCCC3(C)C)C)(C)O)O
- InChI
- InChI=1S/C21H32O2/c1-13(2)17-15(22)9-8-14-18(17)21(6,23)12-16-19(3,4)10-7-11-20(14,16)5/h8-9,13,16,22-23H,7,10-12H2,1-6H3/t16-,20+,21-/m0/s1
- InChIKey
- AAJTUTMROLCKSB-DQLDELGASA-N
- Compound name
- (4bS,8aS,10S)-4b,8,8,10-tetramethyl-1-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthrene-2,10-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 317.24751 | 176.9 |
[M+Na]+ | 339.22945 | 184.4 |
[M-H]- | 315.23295 | 179.3 |
[M+NH4]+ | 334.27405 | 198.9 |
[M+K]+ | 355.20339 | 179.8 |
[M+H-H2O]+ | 299.23749 | 171.8 |
[M+HCOO]- | 361.23843 | 187.2 |
[M+CH3COO]- | 375.25408 | 208.9 |
[M+Na-2H]- | 337.21490 | 179.0 |
[M]+ | 316.23968 | 174.5 |
[M]- | 316.24078 | 174.5 |
Literature stripe
Patent stripe
No patent data available for this compound.