기본 정보
- CAS
511-05-7- 표준 SMILES
CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O- InChIKey
IPEHJNRNYPOFII-AZUAARDMSA-N- 분자식
- C20H28O2
- 평균 분자량
- 300.4 g/mol
- 단동위원소 질량
- 300.20893013
개요
Sugiol is an abietane diterpenoid that is ferruginol in which the methylene group para to the phenolic hydroxy group has been substituted by an oxo group. It has a role as an antioxidant, an antiviral agent, an antineoplastic agent, a radical scavenger and a plant metabolite. It is a member of phenols, a cyclic terpene ketone, an abietane diterpenoid, a carbotricyclic compound and a meroterpenoid. It is functionally related to a ferruginol.
이름 및 식별자
- 우선 이름
- Sugiol
- IUPAC
- (4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
- 영어명
- (4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahy dro-2H-phenanthren-9-one
- 분자식
- C20H28O2
- 분자량
- 300.44
이름 및 동의어
SUGIOL511-05-712-Hydroxyabieta-8,11,13-trien-7-oneCHEBI:138961DTXSID70965374(4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-oneRefChem:186449DTXCID401767128(+)-Sugiol12-hydroxyabieta-8(14),9(11),12-trien-7-oneNSC 122421(4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahy dro-2H-phenanthren-9-one
이름 더 보기
10-Deoxoxanthoperol12-Hydroxyabieta-8,11,13-triene-7-one(4aS)-2,3,4,4a,10,10aα-Hexahydro-6-hydroxy-1,1,4a-trimethyl-7-isopropylphenanthren-9(1H)-one9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,10aS)-
Podocarpa-8,11,13-trien-7-one, 12-hydroxy-13-isopropyl-CHEMBL195296orb1684193SCHEMBL10869169(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-TN2243AKOS040760726FS-7573
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 453
물리화학적 성질
- 녹는점
- 290 · 290-292 °C (decomp)
- 끓는 점
- 185 · 185-205 °C(Press: 0.1 Torr)
- 밀도
- 1.049 · 1.049±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 8.71 · 8.71±0.60(Predicted)
- 색상
- White to off-white
- LogP
- 6.77 · 6.770 (est)
화학 및 산업
공급사38 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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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]
上海融禾医药科技发展有限公司17301719108 13341702378 · [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]
ChemeGen 中国18818260767 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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天津普西唐生物医药科技有限公司010-60605840 · [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]
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