11,13-Dihydroivalin

CAT: 0931-TN2579Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-TN2579Size:5 mg

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CAS Number

150150-61-1

Target

Antifection

Related Pathways

Microbiology/Virology

Bioactivity

11,13-Dihydroivalin is a natural product of Blumea, Asteraceae. The catalog number is TN2579 and the CAS number is 150150-61-1. 11,13-Dihydroivalin can be used as a reference standard.

Smiles

C[C@]12[C@@](C[C@]3([C@@](C1)(OC(=O)[C@H]3C)[H])[H])(C(=C)C[C@H](O)C2)[H]

Molecular Formula

C15H22O3

Molecular Weight

250.33

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

11,13-Dihydroivalin

(3S,3aR,4aS,7S,8aR,9aR)-7-hydroxy-3,8a-dimethyl-5-methylidene-octahydro-3H-naphtho[2,3-b]furan-2-one has been reported in Carpesium macrocephalum and Dittrichia graveolens with data available.

CAS Number	150150-61-1
PubChem CID	13944074
IUPAC Name	(3S,3aR,4aS,7S,8aR,9aR)-7-hydroxy-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Molecular Formula	C15H22O3
Molecular Weight	250.33
XLogP	2.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	403

SMILES

C[C@H]1[C@H]2C[C@H]3C(=C)C[C@@H](C[C@@]3(C[C@H]2OC1=O)C)O

InChI

InChI=1S/C15H22O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h9-13,16H,1,4-7H2,2-3H3/t9-,10-,11+,12-,13+,15+/m0/s1

InChIKey

FPEGOJNBPHXMRU-GGZSWOCBSA-N

Chemical Structure

2D Structure

CAS: 150150-61-1

CID: 13944074

Formula: C15H22O3

MW: 250.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	250.33
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	250.15689456
Monoisotopic Mass	250.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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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Catalog	Name
MBS5786845	11,13-Dihydroivalin
HY-N9987-01	11β,13-Dihydrolactucin
HY-129724	α-MSH (11-13)
MBS5801926	11,13-Dihydrolactucin
MDA44173-01	11 (13) -Dehydroivaxillin
HY-N1012	(-) -11,13-Dehydroeriolin
MBS5783060	Msh (11-13)
GTR19266031-01	11β,13-Dihydrolactucopicrin
MBS5787450	11(13)-Dehydroivaxillin
sc-742	RXRβ (11-13)

11,13-Dihydroivalin

Chemical Information

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