Periandrin V

CAT: 0013-GTR19231564-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19231564-02Size:5 mg

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Description

Periandrin V (CAS 152464-84-1) is a natural product suitable for use as an analytical reference standard. It is utilized in phytochemical research for the qualitative and quantitative analysis of bioactive compounds in plant extracts, supporting both in vitro and in vivo pharmacological studies.

CAS Number

152464-84-1

Smiles

[H][C@]12CCC3[C@@] (C) (CCC4C (C) (C) [C@H] (CC[C@]34C=O) O[C@@H]3O[C@@H] ([C@@H] (O) [C@H] (O) [C@H]3O[C@@H]3OC[C@@H] (O) [C@H] (O) [C@H]3O) C (O) =O) [C@]1 (C) CC[C@@]1 (C) CC[C@@] (C) (C=C21) C (O) =O

Molecular Formula

C41H62O14

Molecular Weight

778.933

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Periandrin V

Periandrin V is a triterpenoid saponin.

CAS Number	152464-84-1
PubChem CID	192588
IUPAC Name	6-[(11-carboxy-14b-formyl-4,4,6a,6b,8a,11-hexamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl)oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Molecular Formula	C41H62O14
Molecular Weight	778.9
XLogP	3.7
Topological Polar Surface Area	230
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	55
Formal Charge	0
Complexity	1570

SMILES

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(CO5)O)O)O)C=O)CCC6C3(CCC7(C6=CC(CC7)(C)C(=O)O)C)C)C)C

InChI

InChI=1S/C41H62O14/c1-36(2)23-9-11-40(6)24(8-7-20-21-17-38(4,35(50)51)14-13-37(21,3)15-16-39(20,40)5)41(23,19-42)12-10-25(36)53-34-31(28(46)27(45)30(54-34)32(48)49)55-33-29(47)26(44)22(43)18-52-33/h17,19-20,22-31,33-34,43-47H,7-16,18H2,1-6H3,(H,48,49)(H,50,51)

InChIKey

OHGFKHHCPIGSKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 152464-84-1

CID: 192588

Formula: C41H62O14

MW: 778.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	778.9
XLogP3	3.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	778.41395665
Monoisotopic Mass	778.41395665
Topological Polar Surface Area	230 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1570
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	18
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Periandrin V

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