CID 25200381

10beta,14beta-dihydroxytaxa-4(20),11-dien-5alpha-yl acetate

Structural Information

Molecular Formula
C22H34O4
SMILES
CC1=C2[C@H](C[C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)C(C1)O)OC(=O)C)C)O
InChI
InChI=1S/C22H34O4/c1-12-9-17(24)16-10-15-13(2)19(26-14(3)23)7-8-22(15,6)11-18(25)20(12)21(16,4)5/h15-19,24-25H,2,7-11H2,1,3-6H3/t15-,16-,17?,18+,19+,22+/m1/s1
InChIKey
KHXOPJUQEGBFTQ-UTICLMQXSA-N
Compound name
[(1S,3S,5S,8S,10S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

362.2457 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 199.3
[M+Na]+ 385.23492 201.7
[M+NH4]+ 380.27952 201.8
[M+K]+ 401.20886 197.6
[M-H]- 361.23842 198.9
[M+Na-2H]- 383.22037 197.6
[M]+ 362.24515 199.5
[M]- 362.24625 199.5
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.