Phytolaccagenin - ≥98% , CAS No.1802-12-6

CAS: 1802-12-6 Cat. No.: P414367 분자식: C31H48O7 분자량: 532.71 EC 번호: 683-154-7 PubChem CID: 21594228
주문 가능
GRADE & PURITY ≥98%
Synonyms
10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | s9218 | OLEAN-12-ENE-28,29-DIOIC ACID, 2,3,23-TRIHYDROXY-, 29-METHYL ESTER, (2.BETA.,3.BETA.,4.ALPH
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
P414367-5mg
3 재고 있음
—

US$117.90

US$138.90
저장 US$21.00 (15.12%)
25mg
P414367-25mg
3 재고 있음
—

US$352.90

US$412.90
저장 US$60.00 (14.53%)
100mg
P414367-100mg
3 재고 있음
—

US$1,029.90

US$1,202.90
저장 US$173.00 (14.38%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

Phytolaccagenin, a triterpenoid saponin, is the active component of Radix Phtolaccae.

Specifications

동의어
10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | s9218 | OLEAN-12-ENE-28,29-DIOIC ACID, 2,3,23-TRIHYDROXY-, 29-METHYL ESTER, (2.BETA.,3.BETA.,4.ALPH
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
Phytolaccagenin, a triterpenoid saponin, is the active component of Radix Phtolaccae.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
순수함
≥98%
제품 특성
ALogP
3.758
HBD 수
3
회전 가능한 결합
4
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504769009
정식 스마일
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC
IUPAC Name
(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKey
CYJWWQALTIKOAG-FLORRLIPSA-N
INCHI
1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1
이성체 SMILES
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC
PubChem CID
21594228
분자량
532.71

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
분류Prenol lipids
SubclassTriterpenoids
Intermediate Tree Nodes Not available
Direct ParentTriterpenoids
Alternative Parents 12-alpha-hydroxysteroids  Dicarboxylic acids and derivatives  Methyl esters  Secondary alcohols  Cyclic alcohols and derivatives  Carboxylic acids  Primary alcohols  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Triterpenoid - 12-alpha-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - Steroid - Dicarboxylic acid or derivatives - Cyclic alcohol - Methyl ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Primary alcohol - Organooxygen compound - Aliphatic homopolycyclic compound
설명This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate Type날짜항목
H2218498Certificate of AnalysisJun 09, 2025 P414367
H2218499Certificate of AnalysisJun 09, 2025 P414367
H2218500Certificate of AnalysisJun 09, 2025 P414367
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 100 mg/mL (187.71 mM);    
DMSO(mg/mL) 최대 용해도100
DMSO(mM) 최대 용해도187.71988333885
분자량532.700 g/mol
XLogP34.500
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass532.34 Da
Monoisotopic Mass532.34 Da
Topological Polar Surface Area124.000 Ų
Heavy Atom Count38
Formal Charge0
Complexity1050.000
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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