LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3,7,11-Trioxo-5α-lanosta-8,24(E)-dien-26-oic acid

Synonyms

LM ID

LMPR0106050012

Formula

C₃₀H₄₂O₅

Exact Mass

Calculate m/z

482.303225

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)

YKBGDHRTEYNXDH-PJIGFUFZSA-N

InChi (Click to copy)

InChI=1S/C30H42O5/c1-17(9-8-10-18(2)26(34)35)19-11-14-29(6)25-20(31)15-22-27(3,4)23(33)12-13-28(22,5)24(25)21(32)16-30(19,29)7/h10,17,19,22H,8-9,11-16H2,1-7H3,(H,34,35)/b18-10+/t17-,19-,22+,28+,29+,30-/m1/s1

SMILES (Click to copy)

C1[C@]2(C)C3C(=O)C[C@]4(C)[C@]([C@@H](CC/C=C(\C)/C(=O)O)C)([H])CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C(=O)C1

Other Databases

PubChem CID

71530780

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 4

Aromatic Rings

Rotatable Bonds 5

Van der Waals Molecular Volume 506.23

Topological Polar Surface Area 88.51

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 5

logP 6.11

Molar Refractivity 134.62

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Created at

11th Aug 2023

Updated at