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]+ 315.231856 176.6
[M+Na]+ 337.213798 184.4
[M-H]- 313.217304 180.4
[M+NH4]+ 332.258403 197.4
[M+K]+ 353.187738 180.1
[M+H-H2O]+ 297.221840 170.5
[M+HCOO]- 359.222781 190.0
[M+CH3COO]- 373.238431 211.0
[M+Na-2H]- 335.199246 178.9
[M]+ 314.22403142 176.8
[M]- 314.22512858 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.