Kadsuric acid

HCID 5384417

노트 반응

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기본 정보

CAS: 62393-88-8
표준 SMILES: C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIKey: JGNPDWQZTUZFHK-LYNKRMMFSA-N
분자식: C30H46O4
평균 분자량: 470.7 g/mol
단동위원소 질량: 470.33960995

개요

Kadsuric acid has been reported in Kadsura coccinea with data available.

이름 및 식별자

우선 이름: Kadsuric acid
IUPAC: (Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
영어명: (24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid
분자식: C30H46O4
분자량: 470.68

이름 및 동의어

KADSURIC ACID62393-88-8NSC330514(Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acidCHEMBL1976802SCHEMBL29644190DTXSID50419527AKOS032948131NSC-330514(2Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-Carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid3,4-Secolanosta-4(28),9(11),24Z-triene-3,26-dioic acid(24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid

이름 더 보기

(Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoicaci1H-Benz[e]indene-6-propanoic acid,3-[(1R,4Z)-5-carboxy-1-methyl-4- hexenyl]-2,3,3a,4,6,7,8,9,9a,9b-decahydro-3a,6,- 9b-trimethyl-7-(1-methylethenyl)-,(3R,3aR,- 6S,7S,9aR,9bS)-

데이터베이스 식별자

CAS: 62393-88-8
PubChem CID: 5384417
DTXSID: DTXSID50419527
ChEMBL: CHEMBL1976802

물성

구조 계산 물성

XLogP: 8
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 9
무거운 원자 수: 34
형식 전하: 0
복잡도: 897

물리화학적 성질

끓는 점: 605.997 · 605.997±28.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.079 · 1.079±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
용해도: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태: 가루
산도 계수 (pKa): 4.726 · 4.726±0.10(predicted)

화학 및 산업

공급사33 곳

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]

成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]

佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

云南西力生物技术股份有限公司0871-65217109 · [email protected]

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