CID 171121072

Salvurmin b

Structural Information

Molecular Formula
C30H44O2
SMILES
C[C@H]1[C@@H](CC[C@]2([C@H]1C3=CC=C4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(C=CC(=O)C5(C)C)C)C)C)CO
InChI
InChI=1S/C30H44O2/c1-19-20(18-31)10-13-27(4)16-17-29(6)21(25(19)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8-9,12,14,19-20,22,25,31H,10-11,13,15-18H2,1-7H3/t19-,20-,22?,25+,27+,28-,29+,30+/m0/s1
InChIKey
FVDQDIJTPFIXPB-UYMQOYBOSA-N
Compound name
(6aS,6bR,8aR,11R,12R,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,12,14b-heptamethyl-4a,5,6,7,8,9,10,11,12,12a-decahydropicen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.33414 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.34142 207.5
[M+Na]+ 459.32336 214.6
[M-H]- 435.32686 210.9
[M+NH4]+ 454.36796 230.0
[M+K]+ 475.29730 207.4
[M+H-H2O]+ 419.33140 196.5
[M+HCOO]- 481.33234 210.1
[M+CH3COO]- 495.34799 214.0
[M+Na-2H]- 457.30881 208.2
[M]+ 436.33359 202.5
[M]- 436.33469 202.5
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.