CID 90657254

2alpha, 7beta-dihydroxytaxusin

Structural Information

Molecular Formula
C28H40O10
SMILES
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)C3[C@@H](C(C2(C)C)C[C@@H]1OC(=O)C)O)OC(=O)C)O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C28H40O10/c1-12-20(36-15(4)30)11-21(33)28(9)22(12)24(34)18-10-19(35-14(3)29)13(2)23(27(18,7)8)25(37-16(5)31)26(28)38-17(6)32/h18-22,24-26,33-34H,1,10-11H2,2-9H3/t18?,19-,20-,21-,22?,24+,25+,26-,28+/m0/s1
InChIKey
VWTJGLYGEBYALH-OIXKZJJISA-N
Compound name
[(2R,5S,7S,8S,9R,10R,13S)-5,9,10-triacetyloxy-2,7-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

536.26215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.26943 225.7
[M+Na]+ 559.25137 226.7
[M+NH4]+ 554.29597 226.2
[M+K]+ 575.22531 223.1
[M-H]- 535.25487 223.9
[M+Na-2H]- 557.23682 221.3
[M]+ 536.26160 225.2
[M]- 536.26270 225.2
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.