CID 443485

Taxa-4(20),11-dien-5alpha-ol

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=C2CC[C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)CC1)O)C
InChI
InChI=1S/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3/t15-,17+,18-,20+/m0/s1
InChIKey
QHDGSWAXTYWVOP-ZNWBIBPKSA-N
Compound name
(1S,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

20
Patents

288.24533 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 187.0
[M+Na]+ 311.23455 191.3
[M-H]- 287.23805 187.8
[M+NH4]+ 306.27915 196.7
[M+K]+ 327.20849 189.4
[M+H-H2O]+ 271.24259 182.9
[M+HCOO]- 333.24353 190.6
[M+CH3COO]- 347.25918 189.3
[M+Na-2H]- 309.22000 183.3
[M]+ 288.24478 183.9
[M]- 288.24588 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

patents stripe