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]+ 303.231856 174.2
[M+Na]+ 325.213798 180.6
[M-H]- 301.217304 179.7
[M+NH4]+ 320.258403 197.0
[M+K]+ 341.187738 176.8
[M+H-H2O]+ 285.221840 167.6
[M+HCOO]- 347.222781 185.5
[M+CH3COO]- 361.238431 184.5
[M+Na-2H]- 323.199246 176.5
[M]+ 302.22403142 171.5
[M]- 302.22512858 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

literature stripe

Patent stripe

No patent data available for this compound.