CID 131751019

5-hydroxy-1-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl)methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one

Structural Information

Molecular Formula
C22H32O5
SMILES
CC1(C2CCC(=C)C(C2(CCC1O)C)CC34C(O3)C(C(=CC4=O)CO)O)C
InChI
InChI=1S/C22H32O5/c1-12-5-6-15-20(2,3)16(24)7-8-21(15,4)14(12)10-22-17(25)9-13(11-23)18(26)19(22)27-22/h9,14-16,18-19,23-24,26H,1,5-8,10-11H2,2-4H3
InChIKey
ZJIGIRXWBMNWPJ-UHFFFAOYSA-N
Compound name
5-hydroxy-1-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22498 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23226 188.0
[M+Na]+ 399.21420 199.4
[M+NH4]+ 394.25880 199.4
[M+K]+ 415.18814 190.3
[M-H]- 375.21770 198.5
[M+Na-2H]- 397.19965 194.1
[M]+ 376.22443 194.2
[M]- 376.22553 194.2
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.