betulin

CHEBI:3086 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3β-hydroxy and 28-hydroxymethyl substituents. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:23824 CHEBI:23824
CHEBI:25872 CHEBI:25872

Chemical structure

Computed structure properties
Molecular formula	C30H50O2
Charge	0
Average mass	442.728 Da
Monoisotopic mass	442.38108 Da
Source	ChEBI
InChIKey	FVWJYYTZTCVBKE-ROUWMTJPSA-N

SMILES

[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(CO)CC[C@@H](C(=C)C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C

InChI

InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

Also called

(3β)-lup-20(29)-ene-3,28-diol (EXACT_SYNONYM)— chebi
Betuline (EXACT_SYNONYM)— chebi
Betulinol (EXACT_SYNONYM)— chebi
Betulol (EXACT_SYNONYM)— chebi
Trochol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:473-98-3
hmdb:HMDB0036838
kegg.compound:C08618
knapsack:C00003740
reaxys:2064515
wikipedia.en:Betulin

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:22587 CHEBI:22587

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:3086`	betulin	`antibioticmech:chebi-b08624cdaa`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.