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]+ 305.247506 182.1
[M+Na]+ 327.229448 186.0
[M-H]- 303.232954 183.6
[M+NH4]+ 322.274053 189.3
[M+K]+ 343.203388 186.2
[M+H-H2O]+ 287.237490 176.3
[M+HCOO]- 349.238431 184.7
[M+CH3COO]- 363.254081 184.5
[M+Na-2H]- 325.214896 180.3
[M]+ 304.23968142 183.9
[M]- 304.24077858 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.