Pteridic acid A

CAT: 0013-GTR19266182-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19266182-02Size:50 mg

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Description

Pteridic acid A is a plant growth promoter with auxin-like phytohormone activity, capable of enhancing root growth in legumes and other plants at a concentration as low as 1 nM (nanomolar) .

CAS Number

367510-96-1

Smiles

C[C@@H]1[C@@]2 (O[C@@] ([C@H] (/C=C/C=C/C (O) =O) C) ([C@@H] (C) [C@H]1O) [H]) O[C@H] (C) [C@@H] (CC) C=C2

Molecular Formula

C21H32O5

Molecular Weight

364.48

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(2E,4E,6S)-6-[(2S,3S,4R,5S,6R,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid

(2E,4E,6S)-6-[(2S,3S,4R,5S,6R,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid has been reported in Streptomyces hygroscopicus with data available.

CAS Number	367510-96-1
PubChem CID	11257047
IUPAC Name	(2E,4E,6S)-6-[(2S,3S,4R,5S,6R,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid
Molecular Formula	C21H32O5
Molecular Weight	364.5
XLogP	3.8
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	581

SMILES

CC[C@H]1C=C[C@@]2([C@H]([C@@H]([C@@H]([C@@H](O2)[C@@H](C)/C=C/C=C/C(=O)O)C)O)C)O[C@@H]1C

InChI

InChI=1S/C21H32O5/c1-6-17-11-12-21(25-16(17)5)15(4)19(24)14(3)20(26-21)13(2)9-7-8-10-18(22)23/h7-17,19-20,24H,6H2,1-5H3,(H,22,23)/b9-7+,10-8+/t13-,14-,15-,16+,17-,19+,20-,21+/m0/s1

InChIKey

QBUNWYIRJPTIPL-DKZIXXEYSA-N

Chemical Structure

2D Structure

CAS: 367510-96-1

CID: 11257047

Formula: C21H32O5

MW: 364.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	364.5
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	364.22497412
Monoisotopic Mass	364.22497412
Topological Polar Surface Area	76 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Pteridic acid A

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