Rabdoternin D

CAT: 0931-TN8263-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN8263-02Size:50 mg

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CAS Number

155969-81-6

Bioactivity

Rabdoternin D is a diterpenoid compound.

Smiles

O[C@]12[C@]34[C@]([C@]5(C([C@@H]1OC(C)=O)(C(C)(C)CCC5)[H])CO2)([C@@H](O)C[C@](C3O)(C(=C)[C@H]4O)[H])[H]

Molecular Formula

C22H32O7

Molecular Weight

408.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Rabdoternin D

[(1R,2S,3S,5S,7R,8R,9R,10S,11R,18R)-3,7,9,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate has been reported in Isodon rubescens, Isodon xerophilus, and Isodon ternifolius with data available.

CAS Number	155969-81-6
PubChem CID	44445758
IUPAC Name	[(1R,2S,3S,5S,7R,8R,9R,10S,11R,18R)-3,7,9,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
Molecular Formula	C22H32O7
Molecular Weight	408.5
XLogP	0.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	779

SMILES

CC(=O)O[C@H]1[C@H]2[C@]3(CCCC2(C)C)CO[C@@]1([C@]45[C@H]3[C@H](C[C@H]([C@H]4O)C(=C)[C@H]5O)O)O

InChI

InChI=1S/C22H32O7/c1-10-12-8-13(24)14-20-7-5-6-19(3,4)15(20)18(29-11(2)23)22(27,28-9-20)21(14,16(10)25)17(12)26/h12-18,24-27H,1,5-9H2,2-4H3/t12-,13-,14-,15+,16+,17+,18-,20+,21-,22-/m0/s1

InChIKey

SCQGHCFEGSHMDK-WFAOESQHSA-N

Chemical Structure

2D Structure

CAS: 155969-81-6

CID: 44445758

Formula: C22H32O7

MW: 408.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	408.5
XLogP3	0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	408.21480336
Monoisotopic Mass	408.21480336
Topological Polar Surface Area	116 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	779
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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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GTR19222861-01	Rabdoternin A
GTR19239428-01	Rabdoternin D
GTR19180699-01	Rabdoternin F
GTR19227876-01	Rabdoternin C
HY-123224	Rabdoternin B

Rabdoternin D

Chemical Information

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