Dihydroeuphol

CAT: 0926-AAA56460-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA56460-01Size:5 mg

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CAS Number

564-60-3

Smiles

C1=C (C=NC (=C1F) N2N=CC (=N2) C (=O) O) F

Molecular Formula

C30H52O

Molecular Weight

428.7 g/mol

Controlled

Chemical Information

(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Dihydroeuphol has been reported in Euphorbia kansui with data available.

CAS Number	564-60-3
PubChem CID	12312924
IUPAC Name	(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula	C30H52O
Molecular Weight	428.7
XLogP	9.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	716

SMILES

C[C@H](CCCC(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

InChI

InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1

InChIKey

MBZYKEVPFYHDOH-WZLOIPHISA-N

Chemical Structure

2D Structure

CAS: 564-60-3

CID: 12312924

Formula: C30H52O

MW: 428.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.7
XLogP3	9.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	428.401816278
Monoisotopic Mass	428.401816278
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	716
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
D096-1MG	Dihydroeuphol

Dihydroeuphol

Chemical Information

Alternative Products

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