Withanolide B

CAT: 1596-AR-W01034-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-W01034-04Size:100 Units

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CAS Number

56973-41-2

Synonyms

6α,7α-epoxy-5α,22R-dihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, δ-lactone

Molecular Formula

C28H38O5

Molecular Weight

454.6

API Name

Withanolide

Chemical Information

Withanolide B

Withanolide B is a withanolide.

CAS Number	56973-41-2
PubChem CID	14236711
IUPAC Name	(1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Molecular Formula	C28H38O5
Molecular Weight	454.6
XLogP	4.7
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	33
Formal Charge	0
Complexity	981

SMILES

CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)C

InChI

InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1

InChIKey

ZTEVDTFJUUJBLP-MBMSZCMESA-N

Chemical Structure

2D Structure

CAS: 56973-41-2

CID: 14236711

Formula: C28H38O5

MW: 454.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.6
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	454.27192431
Monoisotopic Mass	454.27192431
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	981
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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AR-W01029-01	Withanolide A
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AR-W01030-01	Withanoside IV
AR-C01664-01	Cefalonium Impurity B (Cefalotin Impurity B)
AR-K01548-01	Kanamycin B
AR-E01798-01	Erythromycin B
AR-D01836-01	B-Methyldigoxin
AR-C02456-01	Chlorophyll b
AR-T01861-01	Protogen B

Alternative Products

Catalog	Name
167073	Withanolide A
AB3204	Withanolide B
TBZ2758	Withanolide D
GTR19180448	Withanolide C
HY-N9061-01	Withanolide S
HY-N7028R	Withanolide A (Standard)

Withanolide B

Chemical Information

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