Abieslactone

CAT: 0931-T24996-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T24996-02Size:25 mg

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

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CAS Number

33869-93-1

Target

Others, Endogenous Metabolite

Related Pathways

Metabolism, Others

Bioactivity

Abieslacton possesses anti-tumor promoting activity isolated from several Abies genus.

Smiles

[H][C@@]1(CC[C@@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](CC[C@]4(C)[C@]3([H])CC[C@]12C)OC)[C@H](C)C[C@H]1OC(=O)C(C)=C1 |c:39,t:6|

Molecular Formula

C31H48O3

Molecular Weight

468.722

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Abieslactone

Abieslactone has been reported in Abies pindrow, Abies veitchii, and other organisms with data available.

CAS Number	33869-93-1
PubChem CID	161784
IUPAC Name	(2R)-2-[(2R)-2-[(3R,5R,9S,10R,13R,14R,17R)-3-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl]-4-methyl-2H-furan-5-one
Molecular Formula	C31H48O3
Molecular Weight	468.7
XLogP	8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	914

SMILES

CC1=C[C@H](OC1=O)C[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@@H]4C3=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC)C)C)C

InChI

InChI=1S/C31H48O3/c1-19(17-21-18-20(2)27(32)34-21)22-11-15-31(7)24-9-10-25-28(3,4)26(33-8)13-14-29(25,5)23(24)12-16-30(22,31)6/h9,18-19,21-23,25-26H,10-17H2,1-8H3/t19-,21-,22-,23-,25+,26-,29-,30-,31+/m1/s1

InChIKey

RHCAOVDBFCREAC-XOUPGTJXSA-N

Chemical Structure

2D Structure

CAS: 33869-93-1

CID: 161784

Formula: C31H48O3

MW: 468.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.7
XLogP3	8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	468.36034539
Monoisotopic Mass	468.36034539
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	914
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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
MBS5774736	Abieslactone

Abieslactone

Chemical Information

Alternative Products

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