CID 497955

7h,10h-furo[2,3,4-cd]naphtho[2,1-e]isobenzofuran-7-one, tetradecahydro-10-hydroxy-1,1,4a-trimethyl-, (4as,10r,10br,12as)-

Structural Information

Molecular Formula
C20H30O4
SMILES
C[C@]12CCCC([C@@H]1CCC34C2CCC5[C@H]3C(O[C@H]4O)OC5=O)(C)C
InChI
InChI=1S/C20H30O4/c1-18(2)8-4-9-19(3)12(18)7-10-20-13(19)6-5-11-14(20)16(23-15(11)21)24-17(20)22/h11-14,16-17,22H,4-10H2,1-3H3/t11?,12-,13?,14-,16?,17+,19-,20?/m0/s1
InChIKey
RWVHMWICVBNDMW-HUHQYQQJSA-N
Compound name
(4S,9S,18R,19R)-18-hydroxy-5,5,9-trimethyl-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.21442 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 177.1
[M+Na]+ 357.20364 183.2
[M-H]- 333.20714 182.4
[M+NH4]+ 352.24824 200.7
[M+K]+ 373.17758 179.8
[M+H-H2O]+ 317.21168 172.4
[M+HCOO]- 379.21262 182.7
[M+CH3COO]- 393.22827 186.5
[M+Na-2H]- 355.18909 177.8
[M]+ 334.21387 173.7
[M]- 334.21497 173.7
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.