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Chemical structure of (3alpha,15alpha,24E)-15-(Acetyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid
Triterpenoids

(3alpha,15alpha,24E)-15-(Acetyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid

灵芝酸X

PHY-NP-00516 · Natural product research catalog

Catalog numberPHY-NP-00516
CAS number86377-53-9
Molecular formulaC32H48O5
Molecular weight512.731 g/mol
Chemical classTriterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

(3alpha,15alpha,24E)-15-(Acetyloxy)-3-hydroxylanosta-7,9(11),24-trien-26-oic acid 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.

Names & identifiers

IUPAC name(E,6R)-6-[(3R,5R,10S,13R,14R,15S,17R)-15-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
SMILESC[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)OC(=O)C
InChIKeyYCWGPALSXRBKTM-XGNRZNIMSA-N
Subclass / scaffoldLanostane, Tirucallane and Euphane triterpenoids
PubChem CID101600075

Computed properties & structure classification

Exact mass (Da)512.3502Predicted LogP6.8614
Predicted TPSA (Ų)83.83H-bond donors2
H-bond acceptors4Rotatable bonds6
Ring count4Aromatic rings0
Fraction Csp³0.75Synthetic accessibility score5.11
QED score0.3Lipinski rule violations2
NPClassifier pathwayTerpenoidsNPClassifier superclassTriterpenoids
NPClassifier classLanostane, Tirucallane and Euphane triterpenoidsParent SMILESCC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C
Parent formulaC32H48O5Parent molecular weight512.731
Specified stereocenters8Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceGanoderma lucidum
LOTUS / Wikidata speciesGanoderma lucidum(亮盖灵芝)[2]
Source familiesGanodermataceae[1]
LOTUS species records1
LOTUS reference records2
COCONUT occurrence recordsGanoderma australe BCC 22314;Ganoderma lucidum;Ganoderma orbiforme BCC 22325;Ganoderma sp. BCC 60695
COCONUT organism records4
COCONUT identifierCNP0147535.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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