Structure Database (LMSD)

Common Name
Kurilensoside F
Systematic Name
(25S)-3β-(2-O-methyl-β-D-xylopyranosyloxy)-cholestan-4β,5α,,8,15α,16β,26-hexol
Synonyms
  • (25S)-3-O-(2-O-methyl-beta-D-xylopyranosyl)-cholestane-3beta,4beta,5alpha,8,15alpha,16beta,26-heptol
LM ID
LMST05050015
Formula
Exact Mass
Calculate m/z
630.397915
Status
Active

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hippasteria (#136939)
Asteroidea (#7588)
Steroidal monoglycosides from the Far Eastern starfish Hippasteria kurilensis and hypothetic pathways of polyhydroxysteroid biosynthesis in starfish.,
Steroids, 2009
Pubmed ID: 19059276

String Representations

InChiKey (Click to copy)
SFKLBZDYZMNXCK-FVIGSPGCSA-N
InChi (Click to copy)
InChI=1S/C33H58O11/c1-17(15-34)7-6-8-18(2)22-24(37)25(38)27-30(22,3)11-10-21-31(4)12-9-20(28(39)33(31,41)14-13-32(21,27)40)44-29-26(42-5)23(36)19(35)16-43-29/h17-29,34-41H,6-16H2,1-5H3/t17-,18+,19+,20-,21+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33+/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC[C@@H](CO)C)[C@@H](O)[C@H](O)[C@@]4([H])[C@]3(O)CC[C@@]2(O)[C@@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2OC)C1

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 5
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 614.35
Topological Polar Surface Area 191.60
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 11
logP 4.13
Molar Refractivity 165.09

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Created at
-
Updated at
8th Mar 2021