기본 정보
- CAS
13401-40-6- 표준 SMILES
CC1(C)C=Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1- InChIKey
LWTDZKXXJRRKDG-KXBFYZLASA-N- 분자식
- C20H18O4
- 평균 분자량
- 322.4 g/mol
- 단동위원소 질량
- 322.12050905
개요
phaseolin has been reported in Lespedeza cyrtobotrya, Erythrina addisoniae, and other organisms with data available.
이름 및 식별자
- 우선 이름
- (-)-Phaseollin
- IUPAC
- (2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
- 영어명
- Phaseollin
- 분자식
- C20H18O4
- 분자량
- 322.358
이름 및 동의어
Phaseolin13401-40-6(-)-Phaseollin8OHL7771FZDTXSID701029664(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo(11.8.0.02,11.05,10.014,19)henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-olRefChem:1049128DTXCID301514873Phaseollin(+/-)-PhaseollinI7OEP19ZWL
이름 더 보기
Phaseollin/PhaseolinPhaseolin【fungicide】(6bR)-6bβ,12bβ-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-10-ol(6bR-cis)-6b,12b-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-10-ol(6bR,12bR)-6b,12b-Dihydro-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-10-ol3H,7H-Furo(3,2-C:5,4-F')bis(1)benzopyran-10-ol, 6B,12B-dihydro-3,3-dimethyl-, (6br-cis)-3H,7H-Furo[3,2-c:5,4-f']bis[1]benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, (6bR,12bR)-
Phaseollin, (+/-)UNII-I7OEP19ZWLCHEMBL448350Phaseolin fungicideMFCD002105433H,7H-Furo(3,2-c:5,4-f')bis(1)benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, cis-3H,7H-Furo(3,2-c:5,4-f')bis(1)benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, cis-(+/-)-3H,7H-Pyrano(2',3':6,7)benzofuro(3,2-C)(1)benzopyran-10-ol, 6b,12b-dihydro-3,3-dimethyl-, (6bR,12bR)-rel-
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 47.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 530
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
LogP3.58
물리화학적 성질
- 녹는점
- 177 · 177-178°
- 끓는 점
- 467.5 · 467.5±45.0 °C(Predicted)
- 밀도
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.13 · 9.13(at 25℃)
화학 및 산업
공급사44 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [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]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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