CID 71595562

(3s,6ar,6br,8as,10r,14br)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-3,10-diol

Structural Information

Molecular Formula
C30H50O2
SMILES
C[C@@]12CC[C@@]3(C(C1=CC([C@@H](C2)O)(C)C)CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C
InChI
InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)18-24(25)32/h17,19,21-24,31-32H,9-16,18H2,1-8H3/t19?,21?,22?,23-,24+,27-,28-,29+,30+/m0/s1
InChIKey
KFRKENQBMHZDTC-LEPSOFGOSA-N
Compound name
(3S,6aR,6bR,8aS,10R,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicene-3,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.38107 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 209.3
[M+Na]+ 465.37029 215.4
[M-H]- 441.37379 210.8
[M+NH4]+ 460.41489 232.7
[M+K]+ 481.34423 208.6
[M+H-H2O]+ 425.37833 199.2
[M+HCOO]- 487.37927 207.5
[M+CH3COO]- 501.39492 214.6
[M+Na-2H]- 463.35574 209.1
[M]+ 442.38052 201.6
[M]- 442.38162 201.6
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.