IVERMECTIN B1B

伊维菌素B1B

PHY-NP-04832 · Natural product research catalog

Catalog number	PHY-NP-04832
CAS number	70209-81-3
Molecular formula	C₄₇H₇₂O₁₄
Molecular weight	861.079 g/mol
Chemical class	Macrolides
Purity / assay	Confirmed in quotation and batch COA

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50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

IVERMECTIN B1B is listed in the Macrolides 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	(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
SMILES	CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InChIKey	VARHUCVRRNANBD-PVVXTEPVSA-N
Subclass / scaffold	Avermectins
PubChem CID	6321425

Computed properties & structure classification

Exact mass (Da)	860.4922	Predicted LogP	5.2113
Predicted TPSA (Å²)	170.06	H-bond donors	3
H-bond acceptors	14	Rotatable bonds	7
Ring count	7	Aromatic rings	0
Fraction Csp³	0.809	Synthetic accessibility score	7.93
QED score	0.225	Lipinski rule violations	3
NPClassifier pathway	Polyketides	NPClassifier superclass	Macrolides
NPClassifier class	Avermectins	Parent SMILES	CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
Parent formula	C₄₇H₇₂O₁₄	Parent molecular weight	861.079
Specified stereocenters	19	Unspecified stereocenters	0

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

Reported natural occurrence

Main reported source	Streptomyces avermitilis
LOTUS / Wikidata species	Streptomyces avermitilis(阿维链霉菌)[1]
Source families	Streptomycetaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Streptomyces avermitilis
COCONUT organism records	1
COCONUT identifier	CNP0340671.3

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

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

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

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