Caudatin

CAT: 0926-FC145217-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FC145217-05Size:100 mg

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CAS Number

38395-02-7

MDL Number

MFCD09752778

Smiles

CC (C) /C (=C/C (=O) O[C@@H]1C[C@@H]2[C@]3 (CC[C@@H] (CC3=CC[C@]2 ([C@@]4 ([C@]1 ([C@] (CC4) (C (=O) C) O) C) O) O) O) C) /C

Controlled

Chemical Information

Caudatin

(1S,3aR,3bS,7S,9aR,9bR,11R,11aS)-1-acetyl-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-2H,3H,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-11-yl (2E)-3,4-dimethylpent-2-enoate has been reported in Araujia sericifera with data available.

CAS Number	38395-02-7
PubChem CID	21633059
IUPAC Name	[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (E)-3,4-dimethylpent-2-enoate
Molecular Formula	C28H42O7
Molecular Weight	490.6
XLogP	2.4
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	984

SMILES

CC(C)/C(=C/C(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@@H](CC3=CC[C@]2([C@@]4([C@]1([C@@](CC4)(C(=O)C)O)C)O)O)O)C)/C

InChI

InChI=1S/C28H42O7/c1-16(2)17(3)13-23(31)35-22-15-21-24(5)9-8-20(30)14-19(24)7-10-27(21,33)28(34)12-11-26(32,18(4)29)25(22,28)6/h7,13,16,20-22,30,32-34H,8-12,14-15H2,1-6H3/b17-13+/t20-,21+,22+,24-,25+,26+,27-,28+/m0/s1

InChIKey

VWLXIXALPNYWFH-UXGQNDOZSA-N

Chemical Structure

2D Structure

CAS: 38395-02-7

CID: 21633059

Formula: C28H42O7

MW: 490.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	490.6
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	490.29305367
Monoisotopic Mass	490.29305367
Topological Polar Surface Area	124 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	984
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TB0213	Caudatin
A14775-25	Caudatin 25mg
HY-N1983R	Caudatin (Standard)
A14775-100	Caudatin 100mg
A14775-50	Caudatin 50mg
A14775-200	Caudatin 200mg
A14775-1	Caudatin 1mg
A14775-10	Caudatin 10mg
A14775-5	Caudatin 5mg
A14775-10mM-D	Caudatin 10mM * 1mL in DMSO

Caudatin

Chemical Information

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