Structure Database (LMSD)

Common Name
24alpha-Methoxydihydrocucurbitacin D
Systematic Name
Synonyms
LM ID
LMST01010454
Formula
C31H48O8
Exact Mass
Calculate m/z
548.33492
Sum Composition
ST 31:4;O8
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Cholesterol and derivatives [ST0101]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Trichosanthes cucumeroides (#685054)
Magnoliopsida (#3398)
Lipid-Lowering Activities of Cucurbitacins Isolated from Trichosanthes cucumeroides and Their Synthetic Derivatives.,
J Nat Prod, 2020
Pubmed ID: 33269591

String Representations

InChiKey (Click to copy)
NRPGDWNQCNAPIH-QQXPOAMXSA-N
InChi (Click to copy)
InChI=1S/C31H48O8/c1-26(2)16-10-11-20-28(5)14-19(33)24(31(8,38)21(34)13-23(39-9)27(3,4)37)29(28,6)15-22(35)30(20,7)17(16)12-18(32)25(26)36/h10,17-20,23-24,32-33,37-38H,11-15H2,1-9H3/t17-,18+,19-,20+,23+,24+,28+,29-,30+,31+/m1/s1
SMILES (Click to copy)
[C@@]12(C)C(=O)C[C@]3(C)[C@]([H])([C@H](O)C[C@@]3(C)[C@]1([H])CC=C1C(C)(C)C(=O)[C@@H](O)C[C@@]21[H])[C@](O)(C)C(=O)C[C@H](OC)C(O)(C)C

Other Databases

PubChem CID
162652207

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 555.18
Topological Polar Surface Area 141.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 4.21
Molar Refractivity 147.05

Admin

Created at
7th Jan 2021
Updated at
7th Jan 2021