CID 171904531

Oxo-taxadiene-4alpha-ol

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=C2CC[C@@]3(CC[C@@H]4[C@]([C@H]3C[C@@H](C2(C)C)CC1)(CO4)O)C
InChI
InChI=1S/C20H32O2/c1-13-5-6-14-11-16-19(4,9-7-15(13)18(14,2)3)10-8-17-20(16,21)12-22-17/h14,16-17,21H,5-12H2,1-4H3/t14-,16-,17+,19+,20+/m0/s1
InChIKey
WFOFTTUMRWXDJQ-TWRRNRRFSA-N
Compound name
(1S,3S,4S,7R,10R)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 182.1
[M+Na]+ 327.22945 186.0
[M-H]- 303.23295 183.6
[M+NH4]+ 322.27405 189.3
[M+K]+ 343.20339 186.2
[M+H-H2O]+ 287.23749 176.3
[M+HCOO]- 349.23843 184.7
[M+CH3COO]- 363.25408 184.5
[M+Na-2H]- 325.21490 180.3
[M]+ 304.23968 183.9
[M]- 304.24078 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.