Triterpenoids

Methyl maslinate

马斯里酸甲酯

PHY-NP-00979 · Natural product research catalog

Catalog number	PHY-NP-00979
CAS number	22425-82-7
Molecular formula	C₃₁H₅₀O₄
Molecular weight	486.737 g/mol
Chemical class	Triterpenoids
Main reported source	Eriobotrya japonica
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Methyl maslinate is listed in the Triterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	methyl (4aS,6aR,6aS,6bR,10R,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SMILES	C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)(C[C@H]([C@@H](C3(C)C)O)O)C
InChIKey	OTDUGESKRJHFHR-SUXCAEKLSA-N
Subclass / scaffold	Oleanane triterpenoids
PubChem CID	3082208

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	0
Fraction Csp³	0.903
Synthetic accessibility score	4.8
QED score	0.337
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Oleanane triterpenoids
Parent SMILES	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Parent formula	C₃₁H₅₀O₄
Parent molecular weight	486.737
Specified stereocenters	9
Unspecified stereocenters	0

Main reported source	Eriobotrya japonica
Reported source families	Rosaceae; Lamiaceae; Urticaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Eriobotrya japonica[2]; Crataegus monogyna[1]; Crataegus oxyacantha L. (1753)[1]; Crataegus rhipidophylla[1]; Cunila lythrifolia[1]; Eucalyptus perriniana[1]; Euptelea polyandra[1]; Ficus carica[1]; Isodon japonicus[1]; Musanga cecropioides[1]; Myrianthus serratus[1]; Polylepis australis[1]
All reported source families	Rosaceae[5]; Lamiaceae[2]; Urticaceae[2]; Myrtaceae[1]; Eupteleaceae[1]; Moraceae[1]
LOTUS species records	12
LOTUS reference records	11
COCONUT occurrence records	Acacia acuminata; Anthopleura pacifica; Aspergillus fumigatus; Crataegus monogyna; Crataegus oxyacantha L. (1753); Crataegus rhipidophylla; Cunila lythrifolia; Epimedium pubescens; Eriobotrya Japonica; Eriobotrya japonica; Eucalyptus perriniana; Euptelea polyandra; Ficus carica; Frasera caroliniensis; Galaxaura filamentosa; Isodon japonicus; Kingiella taenialis; Musanga cecropioides; Myrianthus serratus; Perovskia angustifolia; Plakortis nigra; Pogostemon stellatus; Polylepis australis; Pseudoscleropodium purum; Sorbus domestica; Teucrium nuchense
COCONUT organism records	26
COCONUT identifier	CNP0224336.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
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