CID 3042241

59236-86-1

Structural Information

Molecular Formula
C20H32O4
SMILES
C[C@]1(CC23CC[C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CCC1[C@@H]3O)O)O
InChI
InChI=1S/C20H32O4/c1-11-12-5-6-13-16(22)19(12,10-18(13,4)23)7-8-20(24)14(11)9-15(21)17(20,2)3/h12-16,21-24H,1,5-10H2,2-4H3/t12-,13?,14-,15-,16-,18+,19?,20+/m0/s1
InChIKey
NZTJHNLXZBZINC-FJEMKRONSA-N
Compound name
(4R,6S,8S,10S,14R,16S)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-4,6,14,16-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 166.6
[M+Na]+ 359.21929 170.1
[M+NH4]+ 354.26389 178.0
[M+K]+ 375.19323 164.7
[M-H]- 335.22279 165.0
[M+Na-2H]- 357.20474 168.0
[M]+ 336.22952 166.8
[M]- 336.23062 166.8
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.