Rabdoternin C

CAT: 0013-GTR19227876-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19227876-02Size:2 mg

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Description

Rabdoternin C (CAS 128887-82-1) is a bioactive small molecule used in life science research. It serves as a valuable tool compound for in vitro studies investigating cellular mechanisms and biochemical pathways.

CAS Number

128887-82-1

Smiles

[H][C@@]12CC[C@@H]3[C@@H] (O) [C@]1 ([C@H] (OC (C) =O) C3=C) [C@@]1 (O) OC[C@]22CCCC (C) (C) [C@@]2 ([H]) [C@@H]1OC (C) =O

Molecular Formula

C24H34O7

Molecular Weight

434.529

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Rabdoternin C

rabdoternin C has been reported in Isodon rubescens, Isodon xerophilus, and Isodon ternifolius with data available.

CAS Number	128887-82-1
PubChem CID	44445759
IUPAC Name	[(1R,2S,5S,7R,8R,9R,10S,11R,18R)-7-acetyloxy-9,18-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl] acetate
Molecular Formula	C24H34O7
Molecular Weight	434.5
XLogP	2.1
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	851

SMILES

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

InChI

InChI=1S/C24H34O7/c1-12-15-7-8-16-22-10-6-9-21(4,5)17(22)20(31-14(3)26)24(28,29-11-22)23(16,18(15)27)19(12)30-13(2)25/h15-20,27-28H,1,6-11H2,2-5H3/t15-,16-,17+,18+,19+,20-,22+,23+,24-/m0/s1

InChIKey

ZPDVFDNDMSYUSR-WLMSFTOLSA-N

Chemical Structure

2D Structure

CAS: 128887-82-1

CID: 44445759

Formula: C24H34O7

MW: 434.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	434.5
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	434.23045342
Monoisotopic Mass	434.23045342
Topological Polar Surface Area	102 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	851
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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