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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.24023 Da
Monoisotopic Mass

5.6
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.