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]+ 337.237346 183.6
[M+Na]+ 359.219288 190.2
[M-H]- 335.222794 184.9
[M+NH4]+ 354.263893 207.9
[M+K]+ 375.193228 183.5
[M+H-H2O]+ 319.227330 181.5
[M+HCOO]- 381.228271 189.3
[M+CH3COO]- 395.243921 191.5
[M+Na-2H]- 357.204736 183.1
[M]+ 336.22952142 176.1
[M]- 336.23061858 176.1
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.