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 211.5
[M+Na]+ 511.33942 216.5
[M-H]- 487.34292 218.1
[M+NH4]+ 506.38402 223.9
[M+K]+ 527.31336 216.8
[M+H-H2O]+ 471.34746 209.0
[M+HCOO]- 533.34840 209.5
[M+CH3COO]- 547.36405 239.6
[M+Na-2H]- 509.32487 209.0
[M]+ 488.34965 211.8
[M]- 488.35075 211.8
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