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 183.6
[M+Na]+ 359.21929 190.2
[M-H]- 335.22279 184.9
[M+NH4]+ 354.26389 207.9
[M+K]+ 375.19323 183.5
[M+H-H2O]+ 319.22733 181.5
[M+HCOO]- 381.22827 189.3
[M+CH3COO]- 395.24392 191.5
[M+Na-2H]- 357.20474 183.1
[M]+ 336.22952 176.1
[M]- 336.23062 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.