CID 134820497

Epoxydolabranol

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@@]1(CC[C@@]2([C@@H](C1)CC[C@]3([C@H]2CC[C@@H](C3=C)O)C)C)C4CO4
InChI
InChI=1S/C20H32O2/c1-13-15(21)5-6-16-19(13,3)8-7-14-11-18(2,17-12-22-17)9-10-20(14,16)4/h14-17,21H,1,5-12H2,2-4H3/t14-,15+,16-,17?,18+,19-,20-/m1/s1
InChIKey
JPGKQPWEFBWKDM-XVMBTQODSA-N
Compound name
(2S,4aS,4bR,7S,8aR,10aS)-4b,7,10a-trimethyl-1-methylidene-7-(oxiran-2-yl)-2,3,4,4a,5,6,8,8a,9,10-decahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 175.2
[M+Na]+ 327.229448 181.7
[M-H]- 303.232954 182.0
[M+NH4]+ 322.274053 191.2
[M+K]+ 343.203388 180.2
[M+H-H2O]+ 287.237490 169.4
[M+HCOO]- 349.238431 182.4
[M+CH3COO]- 363.254081 184.2
[M+Na-2H]- 325.214896 177.7
[M]+ 304.23968142 171.8
[M]- 304.24077858 171.8
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.