CID 172429282

4alpha,5beta-5,20-epoxytax-11-ene-4,9-diol

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1=C2CC([C@@]3(CC[C@@H]4[C@]([C@H]3C[C@@H](C2(C)C)CC1)(CO4)O)C)O
InChI
InChI=1S/C20H32O3/c1-12-5-6-13-9-15-19(4,8-7-17-20(15,22)11-23-17)16(21)10-14(12)18(13,2)3/h13,15-17,21-22H,5-11H2,1-4H3/t13-,15-,16?,17+,19+,20+/m0/s1
InChIKey
KNEDASIARFSPRT-RTXFKFPRSA-N
Compound name
(1S,3S,4S,7R,10R)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-ene-4,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 184.9
[M+Na]+ 343.22436 188.8
[M-H]- 319.22786 185.8
[M+NH4]+ 338.26896 191.6
[M+K]+ 359.19830 189.0
[M+H-H2O]+ 303.23240 179.3
[M+HCOO]- 365.23334 186.8
[M+CH3COO]- 379.24899 187.0
[M+Na-2H]- 341.20981 182.7
[M]+ 320.23459 186.8
[M]- 320.23569 186.8
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.