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Pteridic acid B

CAT: 0013-GTR19255443-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255443-01Size:10 mg
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Description
Pteridic acid B is a plant growth promoter that exhibits auxin-like plant hormone activity, effectively enhancing the growth of leguminous plants and others at a concentration as low as 1 nM.
CAS Number
367511-05-5
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,6S,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,6S,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 Number367511-05-5
PubChem CID11646278
IUPAC Name(2E,4E,6S)-6-[(2S,3S,4R,5S,6S,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 FormulaC21H32O5
Molecular Weight364.5
XLogP3.8
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity581
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-HZNSIGTISA-N
Chemical Structure
2D Structure
2D structure of (2E,4E,6S)-6-[(2S,3S,4R,5S,6S,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
CAS: 367511-05-5
CID: 11646278
Formula: C21H32O5
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass364.22497412
Monoisotopic Mass364.22497412
Topological Polar Surface Area76 Ų
Heavy Atom Count26
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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