CID 497954

(3br,5as,6s,7s,9as)-7-methoxy-3b,6,9a-trimethyl-4,5,5a,6,7,8,9,9b,10,11-decahydronaphtho[2,1-e]isobenzofuran

Structural Information

Molecular Formula
C20H30O2
SMILES
C[C@H]1[C@@H]2CC[C@@]3(C([C@]2(CC[C@@H]1OC)C)CCC4=COC=C43)C
InChI
InChI=1S/C20H30O2/c1-13-15-7-9-20(3)16-12-22-11-14(16)5-6-18(20)19(15,2)10-8-17(13)21-4/h11-13,15,17-18H,5-10H2,1-4H3/t13-,15-,17-,18?,19-,20-/m0/s1
InChIKey
HUTJEJXYISUOOR-YRRLIINXSA-N
Compound name
(3bR,5aS,6S,7S,9aS)-7-methoxy-3b,6,9a-trimethyl-4,5,5a,6,7,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 174.2
[M+Na]+ 325.21380 180.6
[M-H]- 301.21730 179.7
[M+NH4]+ 320.25840 197.0
[M+K]+ 341.18774 176.8
[M+H-H2O]+ 285.22184 167.6
[M+HCOO]- 347.22278 185.5
[M+CH3COO]- 361.23843 184.5
[M+Na-2H]- 323.19925 176.5
[M]+ 302.22403 171.5
[M]- 302.22513 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.