CID 90658264

2alpha-hydroxytaxusin

Structural Information

Molecular Formula
C28H40O9
SMILES
CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)C3[C@@H](C(C2(C)C)C[C@@H]1OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H40O9/c1-13-20(34-15(3)29)10-11-28(9)22(13)24(33)19-12-21(35-16(4)30)14(2)23(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-22,24-26,33H,1,10-12H2,2-9H3/t19?,20-,21-,22?,24+,25+,26-,28+/m0/s1
InChIKey
SCJZVZRWMAAWIK-BIQSHTGTSA-N
Compound name
[(2R,5S,8R,9R,10R,13S)-9,10,13-triacetyloxy-2-hydroxy-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

1
Patents

520.2672 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.27448 223.3
[M+Na]+ 543.25642 224.4
[M+NH4]+ 538.30102 224.1
[M+K]+ 559.23036 220.7
[M-H]- 519.25992 221.7
[M+Na-2H]- 541.24187 219.3
[M]+ 520.26665 222.8
[M]- 520.26775 222.8
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.