Isoacteoside

CAT: 0127-BUP06480-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06480-04Size:50 mg

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CAS Number

61303-13-7

Synonyms

Isoverbascoside

Purity

=95%

Smiles

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@@H](OCCc3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Chemical Information

Isoacteoside

Isoacteoside is a hydroxycinnamic acid.

CAS Number	61303-13-7
PubChem CID	6476333
IUPAC Name	[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Molecular Formula	C29H36O15
Molecular Weight	624.6
XLogP	-0.5
Topological Polar Surface Area	245
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Heavy Atom Count	44
Formal Charge	0
Complexity	936

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27-,28+,29-/m0/s1

InChIKey

FNMHEHXNBNCPCI-QEOJJFGVSA-N

Chemical Structure

2D Structure

CAS: 61303-13-7

CID: 6476333

Formula: C29H36O15

MW: 624.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	624.6
XLogP3	-0.5
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Exact Mass	624.20542044
Monoisotopic Mass	624.20542044
Topological Polar Surface Area	245 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	936
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19158711-01	Isoacteoside
A12071-25	Isoacteoside 25mg
A12071-5	Isoacteoside 5mg
CS-T-103707	Isoacteoside-13C3
HY-N0022R-01	Isoacteoside (Standard)
AR-V05978-01	Isoacteoside (Isoverbascoside)
A12071-100	Isoacteoside 100mg
A12071-50	Isoacteoside 50mg
A12071-10	Isoacteoside 10mg

Isoacteoside

Chemical Information

Alternative Products

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