Structure Database (LMSD)

Common Name
Sebiferenic acid
Systematic Name
2α,3β-dlhydroxytaraxer-14-en-28-olc acid
Synonyms
LM ID
LMPR0106160006
Formula
Exact Mass
Calculate m/z
472.355261
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Triadica sebifera (#139772)
Magnoliopsida (#3398)
Phytochemistry,
Triterpenoid acids from Sapium sebiferum, 1984

String Representations

InChiKey (Click to copy)
JMJVYEINATYJHM-KLXPJGLFSA-N
InChi (Click to copy)
InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18-,19+,21+,22+,23+,27+,28-,29+,30-/m1/s1
SMILES (Click to copy)
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC=C4[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 495.64
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.78
Molar Refractivity 135.10

Admin

Created at
10th Aug 2026
Updated at
10th Aug 2026