CID 461030

Cyanthiwigin c

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=CC[C@@]2(CC[C@@]3([C@H](C=C([C@@H]3[C@H]2CC1)C(C)C)O)C)C
InChI
InChI=1S/C20H32O/c1-13(2)15-12-17(21)20(5)11-10-19(4)9-8-14(3)6-7-16(19)18(15)20/h8,12-13,16-18,21H,6-7,9-11H2,1-5H3/t16-,17+,18-,19-,20-/m1/s1
InChIKey
PVJCGHFLWMLYSO-USYVTKNRSA-N
Compound name
(3S,3aS,5aS,10aR,10bS)-3a,5a,8-trimethyl-1-propan-2-yl-3,4,5,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 170.6
[M+Na]+ 311.23455 175.7
[M-H]- 287.23805 175.3
[M+NH4]+ 306.27915 192.6
[M+K]+ 327.20849 172.9
[M+H-H2O]+ 271.24259 166.7
[M+HCOO]- 333.24353 183.3
[M+CH3COO]- 347.25918 205.3
[M+Na-2H]- 309.22000 170.1
[M]+ 288.24478 164.8
[M]- 288.24588 164.8
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.