CID 134716632

(2s,4as,4br,7s,8ar,10as)-7-methyl-1-methylidene-7-(oxiran-2-yl)-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol

Structural Information

Molecular Formula
C18H28O2
SMILES
C[C@@]1(CC[C@@H]2[C@@H](C1)CC[C@H]3[C@H]2CC[C@@H](C3=C)O)C4CO4
InChI
InChI=1S/C18H28O2/c1-11-13-4-3-12-9-18(2,17-10-20-17)8-7-14(12)15(13)5-6-16(11)19/h12-17,19H,1,3-10H2,2H3/t12-,13-,14-,15-,16+,17?,18+/m1/s1
InChIKey
SJERAYZFFRGWJK-ZYCZMQCLSA-N
Compound name
(2S,4aS,4bR,7S,8aR,10aS)-7-methyl-1-methylidene-7-(oxiran-2-yl)-2,3,4,4a,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 166.6
[M+Na]+ 299.19814 178.9
[M+NH4]+ 294.24274 178.3
[M+K]+ 315.17208 171.4
[M-H]- 275.20164 179.2
[M+Na-2H]- 297.18359 172.4
[M]+ 276.20837 173.3
[M]- 276.20947 173.3
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.