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 166.5
[M+Na]+ 299.19814 172.2
[M-H]- 275.20164 173.1
[M+NH4]+ 294.24274 179.8
[M+K]+ 315.17208 169.1
[M+H-H2O]+ 259.20618 159.9
[M+HCOO]- 321.20712 175.3
[M+CH3COO]- 335.22277 175.6
[M+Na-2H]- 297.18359 168.1
[M]+ 276.20837 161.3
[M]- 276.20947 161.3
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.