Cas no 119738-57-7 (Clerodendrin)

Clerodendrin structure

Product Name:Clerodendrin

CAS No:119738-57-7

MF:C₂₇H₂₆O₁₇

MW:622.485149860382

CID:146054

PubChem ID:5488004

Update Time:2025-07-28

Clerodendrin Chemical and Physical Properties

Names and Identifiers

- b-D-Glucopyranosiduronic acid,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-b-D-glucopyranuronosyl-
- (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- b-D-Glucopyranosiduronic acid,5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-b-D...
- 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
- Apigenin-7-O-glucuronopyranosyl(1-2)-glucuronopyranoside
- beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-
- Clerodendrin
- 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
- Clerodendrin (glycoside)
- Apigenin-7-O-diglucuronoside
- C27H26O17
- CS-0022639
- HY-N2426
- AKOS040751215
- E87166
- MS-30796
- 119738-57-7
- DTXSID10152569
- apigenin-7-O-glucuronopyranosyl(1--2)-glucuronopyranoside
- DTXCID1075060
- (2S,3S,4S,5R,6R)-6-((2S,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-2-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl)oxyoxan-3-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- DA-72271
- Inchi： 1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
- InChI Key： SJFTVAAHLRFBST-DBFWEQBMSA-N
- SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1[C@H](OC2=CC(=C3C(C=C(C4C=CC(=CC=4)O)OC3=C2)=O)O)O[C@H](C(=O)O)[C@H]([C@@H]1O)O

Computed Properties

Exact Mass: 622.116999
Monoisotopic Mass: 622.116999
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 9
Hydrogen Bond Acceptor Count: 17
Heavy Atom Count: 44
Rotatable Bond Count: 7
Complexity: 1110
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 10
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 279
XLogP3: -0.2

Experimental Properties

Color/Form: Solid powder
Density: 1.88±0.1 g/cm3 (20 oC 760 Torr),
Boiling Point: 1057.6°Cat760mmHg
Flash Point: 349.9°C
Refractive Index: 1.766
Solubility: Very slightly soluble (0.19 g/l) (25 o C),

Clerodendrin Security Information

Signal Word：Warning
Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

Clerodendrin Pricemore >>

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MedChemExpress	HY-N2426-5mg	Clerodendrin	119738-57-7	99.66%	5mg	￥2500	2024-05-24
MedChemExpress	HY-N2426-10mg	Clerodendrin	119738-57-7	99.66%	10mg	￥4000	2024-05-24
1PlusChem	1P0094UV-5mg	clerodendrin	119738-57-7		5mg	$391.00	2023-12-26
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