Molecule record

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

C₃₀H₅₀O₂

442.73 g/mol

Loading structure

Molecular properties

Formula: C₃₀H₅₀O₂
Molar mass: 442.73 g·mol⁻¹
Exact mass: 442.3811 Da
: 6
PubChem CID: 72326

Functional groups

Alcohol

Alkane / alkyl carbon

Alkene

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

(+)-betulin
207-475-5
473-98-3
6W70HN7X7O
Betulin
Betuline
Betulinic alcohol
Betulinol

Show all 24 synonyms

Betulinol (obsol.)
Betulol
CHEBI:3086
CP BETULIN
DTXCID801477793
DTXSID101019934
Lup-20(29)-ene-3,28-diol, (3beta)-
Lup-20(29)-ene-3b,28-diol
Lup-20(30)-ene-3beta,28-diol
MFCD00016802
NSC-4644
ORISTRACT BTL
RefChem:568020
Trochol
lup-20(29)-ene-3 beta,28-diol
lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3 beta)-

Structure identifiers

Canonical SMILES: C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO
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
InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N
PubChem CID: 72326

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record