LIPID MAPS

Structure Database (LMSD)

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Common Name

Tenuifolioside B

Systematic Name

3-O-(β-D-allopyranosyl)-3β,14α,20R,22R-tetrahydroxy-5α-cholest-6-one

Synonyms

3beta,14alpha,20R,22R-tetrahydroxy- 5alpha-cholestan-6-one 3-O-beta-D-allopyranoside

LM ID

LMST01010559

Formula

C₃₃H₅₆O₁₀

Exact Mass

Calculate m/z

612.38735

Sum Composition

ST 27:1;O5;Hex

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Lilium tenuifolium (#1218746)

Magnoliopsida (#3398)

Lipid and steroidal constituents of Lilium auratum var. Platyphyllum AND L. tenuifolium,
Phytochemistry, 1989

DOI: 10.1016/0031-9422(89)80363-2

String Representations

InChiKey (Click to copy)

KTYXGLHTBUYJCL-OEFXEBJNSA-N

InChi (Click to copy)

InChI=1S/C33H56O10/c1-17(2)6-7-25(36)32(5,40)24-10-13-33(41)20-15-22(35)21-14-18(8-11-30(21,3)19(20)9-12-31(24,33)4)42-29-28(39)27(38)26(37)23(16-34)43-29/h17-21,23-29,34,36-41H,6-16H2,1-5H3/t18-,19-,20+,21+,23+,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+/m0/s1

SMILES (Click to copy)

C1[C@@]2(C)[C@@]([H])(C(=O)C[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3(O)CC[C@]2([H])[C@@](O)([C@H](O)CCC(C)C)C)C[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](CO)O2)C1