3-o-p-Coumaroyloleanolic acid

CAT: 0926-BGA33406-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-BGA33406-01Size:1 mg

Selected

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

Quick Request Actions

CAS Number

151334-06-4

MDL Number

MFCD26406104

Smiles

CC1 (CCC2 (CCC3 (C (=CCC4C3 (CCC5C4 (CCC (C5 (C) C) OC (=O) C=CC6=CC=C (C=C6) O) C) C) C2C1) C) C (=O) O) C

Molecular Formula

C39H54O5

Molecular Weight

602.8 g/mol

Controlled

Chemical Information

3-O-p-Coumaroyloleanolic acid

(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid has been reported in Hippophae rhamnoides, Bauhinia purpurea, and other organisms with data available.

CAS Number	151334-06-4
PubChem CID	10579517
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula	C39H54O5
Molecular Weight	602.8
XLogP	9.8
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	44
Formal Charge	0
Complexity	1220

SMILES

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O

InChI

InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1

InChIKey

PSKOYUFGDWKJBO-CEDKKCENSA-N

Chemical Structure

2D Structure

CAS: 151334-06-4

CID: 10579517

Formula: C39H54O5

MW: 602.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	602.8
XLogP3	9.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	602.39712482
Monoisotopic Mass	602.39712482
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
UCA29740-01	3-o-Cis-p-coumaroylmaslinic acid
WEA07240-01	3-o-Cis-p-coumaroyltormentic acid
WEA06478-01	3-o-Trans-p-coumaroyltormentic acid
FGA80017	3-Beta-o- (cis-p-coumaroyl) corosolic acid
KBA48291-01	3-Beta-o- (trans-p-coumaroyl) maslinic acid
FD22531	(+) -O, O'-Di-p-toluoyl-D-tartaric acid
UFA42480-01	3-o- (E) -p-Coumaroylbetulin
FC71593-01	3-p-Coumaroylquinic acid
FC164030-01	P-Coumaric acid 4-O-sulfate disodium
TFA77352-01	3-o-Coumaroylasiatic acid

Alternative Products

Catalog	Name
GTR19182528	3-O-p-Coumaroyloleanolic acid
HY-N1863-01	3-p- (E) -Coumaroyloleanolic acid
TN7048-01	3-O-p-Coumaroylquinic acid
MBS5786935	3-O-p-CuMaroyloleanolic acid
MBS5788997	3-O-p-CuMaroylquinic acid
TN6148	3-O-trans-p-Coumaroylmaslinic acid
379092	3-O-trans-p-Coumaroyltormentic acid
GTR19179922	3-O-cis-p-Coumaroylmaslinic acid
GTR19227773-01	3-O-cis-p-Coumaroyltormentic acid
MBS5788256	3-O-cis-p-CuMaroylmaslinic acid

3-o-p-Coumaroyloleanolic acid

Chemical Information

Related Products

Alternative Products

Popular Products