CID 13075980

82543-17-7

Structural Information

Molecular Formula
C24H34O4
SMILES
CC12CCC(CC1(C3CC3C4C2CCC5(C4C6CC6C5(C#CCO)O)C)O)O
InChI
InChI=1S/C24H34O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,4-5,7-12H2,1-2H3
InChIKey
AEKIUMMMGNCKSL-UHFFFAOYSA-N
Compound name
15-(3-hydroxyprop-1-ynyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

386.2457 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.252976 193.2
[M+Na]+ 409.234918 211.5
[M-H]- 385.238424 197.2
[M+NH4]+ 404.279523 206.9
[M+K]+ 425.208858 195.8
[M+H-H2O]+ 369.242960 192.6
[M+HCOO]- 431.243901 191.2
[M+CH3COO]- 445.259551 200.2
[M+Na-2H]- 407.220366 195.5
[M]+ 386.24515142 193.4
[M]- 386.24624858 193.4
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

patents stripe