CID 16055632

4alpha-methyl-5alpha-poriferastan-3beta-ol

Structural Information

Molecular Formula
C30H54O
SMILES
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)C(C)C
InChI
InChI=1S/C30H54O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h19-28,31H,8-18H2,1-7H3/t20-,21+,22+,23+,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKey
IUVIXFVDMWHMDU-GITIEYGXSA-N
Compound name
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.41748 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.42476 218.2
[M+Na]+ 453.40670 217.5
[M-H]- 429.41020 218.7
[M+NH4]+ 448.45130 235.9
[M+K]+ 469.38064 211.1
[M+H-H2O]+ 413.41474 211.9
[M+HCOO]- 475.41568 218.7
[M+CH3COO]- 489.43133 236.6
[M+Na-2H]- 451.39215 208.1
[M]+ 430.41693 210.2
[M]- 430.41803 210.2
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.