LIPID MAPS

Structure Database (LMSD)

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Systematic Name

11α-Hydroxy-3,7-dioxo-5α-lanosta-8,24-diene-26-oic acid methyl ester

Synonyms

LM ID

LMPR0106050013

Formula

C₃₁H₄₆O₅

Exact Mass

Calculate m/z

498.334525

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Taiwanofungus camphoratus (#2696576)

Agaricomycetes (#155619)

Lanostane triterpenoids and sterols from Antrodia camphorata.,
Phytochemistry, 2012

Pubmed ID: 22999074

String Representations

InChiKey (Click to copy)

NRRQLFDHIRXZJO-HSMSPVAISA-N

InChi (Click to copy)

InChI=1S/C31H46O5/c1-18(10-9-11-19(2)27(35)36-8)20-12-15-30(6)26-21(32)16-23-28(3,4)24(34)13-14-29(23,5)25(26)22(33)17-31(20,30)7/h11,18,20,22-23,33H,9-10,12-17H2,1-8H3/b19-11+/t18-,20-,22-,23+,29+,30+,31-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)C3[C@H](O)C[C@]4(C)[C@]([C@@H](CC/C=C(\C)/C(=O)OC)C)([H])CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C(=O)C1

Other Databases

PubChem CID

71530781

Calculated Physicochemical Properties

Heavy Atoms 36

Rings 4

Aromatic Rings

Rotatable Bonds 6

Van der Waals Molecular Volume 526.17

Topological Polar Surface Area 80.67

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 6.28

Molar Refractivity 140.51

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Created at

11th Aug 2023

Updated at