Beta-Amyrenone

CAT: 1596-AR-A02152-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A02152-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

638-97-1

Synonyms

(4aR,6aR,6bS,8aR,12aR,14aR,14bR) -4,4,6a,6b,8a,11,11,14b-octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3 (2H) -one

Molecular Formula

C30H48O

Molecular Weight

424.72

API Name

Amyrenone

Chemical Information

Beta-Amyrone

beta-Amyrone has been reported in Erythrophleum fordii, Lepidaploa myriocephala, and other organisms with data available.

CAS Number	638-97-1
PubChem CID	12306160
IUPAC Name	(4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one
Molecular Formula	C30H48O
Molecular Weight	424.7
XLogP	8.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	31
Formal Charge	0
Complexity	831

SMILES

C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]1CC(CC2)(C)C)C

InChI

InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,27+,28-,29+,30+/m0/s1

InChIKey

LIIFBMGUDSHTOU-CFYIDONUSA-N

Chemical Structure

2D Structure

CAS: 638-97-1

CID: 12306160

Formula: C30H48O

MW: 424.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.7
XLogP3	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	424.370516150
Monoisotopic Mass	424.370516150
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	831
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

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Catalog	Name
CS-P-00621	Beta-Amyrenone
HY-148925-01	α-Amyrenone
T10993-01	δ-Amyrenone
BUP00494-01	D-Amyrenone
MBS5764594	delta-Amyrenone
300008	Beta, beta-Dimethylacrylshikonin (Beta, beta-DimethylacrylAlkannin)
FD145211-01	Beta, beta-Dimethylacrylalkannin
TRC-T499230-250MG	beta,beta-Trehalose
MBS3607722-01	beta, beta-dimethylacrylshikonin
OR16558-01	Beta, beta-Dimethylphenethylamine

Beta-Amyrenone

Chemical Information

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