CID 162970093

(3r,3as,6r,6as,10ar,10br)-3a,6,9-trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,8,10a,10b-decahydrobenzo[e]azulen-6-ol

Structural Information

Molecular Formula
C20H34O
SMILES
CC1=C[C@@H]2[C@H]3CC[C@@H]([C@@]3(CC[C@@]([C@H]2CC1)(C)O)C)C(C)C
InChI
InChI=1S/C20H34O/c1-13(2)16-8-9-17-15-12-14(3)6-7-18(15)20(5,21)11-10-19(16,17)4/h12-13,15-18,21H,6-11H2,1-5H3/t15-,16-,17-,18+,19+,20-/m1/s1
InChIKey
MLBGZUXKKKCYDX-QONVVCGCSA-N
Compound name
(3R,3aS,6R,6aS,10aR,10bR)-3a,6,9-trimethyl-3-propan-2-yl-1,2,3,4,5,6a,7,8,10a,10b-decahydrobenzo[e]azulen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 171.8
[M+Na]+ 313.25018 176.0
[M-H]- 289.25368 176.0
[M+NH4]+ 308.29478 193.6
[M+K]+ 329.22412 173.2
[M+H-H2O]+ 273.25822 167.9
[M+HCOO]- 335.25916 183.0
[M+CH3COO]- 349.27481 205.7
[M+Na-2H]- 311.23563 170.4
[M]+ 290.26041 164.6
[M]- 290.26151 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.