CID 484441

Wztulsqpoxhbgz-laubaehrsa-n

Structural Information

Molecular Formula
C21H30O2
SMILES
CC(C)C1=C(C=CC2=C1C(=C[C@@H]3[C@@]2(CCCC3(C)C)C)OC)O
InChI
InChI=1S/C21H30O2/c1-13(2)18-15(22)9-8-14-19(18)16(23-6)12-17-20(3,4)10-7-11-21(14,17)5/h8-9,12-13,17,22H,7,10-11H2,1-6H3/t17-,21+/m0/s1
InChIKey
WZTULSQPOXHBGZ-LAUBAEHRSA-N
Compound name
(4bS,8aS)-10-methoxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.22458 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 176.6
[M+Na]+ 337.21380 184.4
[M-H]- 313.21730 180.4
[M+NH4]+ 332.25840 197.4
[M+K]+ 353.18774 180.1
[M+H-H2O]+ 297.22184 170.5
[M+HCOO]- 359.22278 190.0
[M+CH3COO]- 373.23843 211.0
[M+Na-2H]- 335.19925 178.9
[M]+ 314.22403 176.8
[M]- 314.22513 176.8
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.