CID 131751884

Hovenolactone

Structural Information

Molecular Formula
C30H48O5
SMILES
CC(=C[C@@H](C[C@]1([C@@H](O1)[C@H]2CCC3[C@]4(CC[C@@H](C(C4CC[C@]3([C@]25CC(=O)OC5)C)(C)C)O)C)C)O)C
InChI
InChI=1S/C30H48O5/c1-18(2)14-19(31)15-29(7)25(35-29)20-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)30(20)16-24(33)34-17-30/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3/t19-,20+,21?,22?,23-,25-,27-,28+,29-,30-/m0/s1
InChIKey
NICHEDAQBKUSBN-XNHBMLHPSA-N
Compound name
(1S,2S,4bR,7S,10aR)-7-hydroxy-2-[(2S,3S)-3-[(2R)-2-hydroxy-4-methylpent-3-enyl]-3-methyloxiran-2-yl]-4b,8,8,10a-tetramethylspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

488.3502 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.35748 212.4
[M+Na]+ 511.33942 220.3
[M+NH4]+ 506.38402 225.6
[M+K]+ 527.31336 210.6
[M-H]- 487.34292 224.3
[M+Na-2H]- 509.32487 218.3
[M]+ 488.34965 218.8
[M]- 488.35075 218.8
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

patents stripe