기본 정보
- CAS
38598-35-5- 표준 SMILES
CC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1- InChIKey
RGROGZCBGZBCAG-XNFNUYLZSA-N- 분자식
- C20H30O3
- 평균 분자량
- 318.4 g/mol
- 단동위원소 질량
- 318.21949481
개요
Cyathin A3 is a tricyclic diterpenoid. It has a role as a nerve growth factor stimulator.
이름 및 식별자
- 우선 이름
- Cyathin A3
- IUPAC
- (3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one
- 영어명
- (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6-hydroxy-6α,9α-epoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-8-methanol
- 분자식
- C20H30O3
- 분자량
- 318.45
이름 및 동의어
Cyathin A3Cyathin A(3)DTXSID90331719(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one(3aR,5aR,9R,10aR)-9-hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta(e)inden-6-oneRefChem:129137DTXCID90282813C09079AC1L9C45CHEBI:3985Q27106279(3aR,5aR,9R,10aR)-9-Hydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-(propan-2-yl)-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]inden-6(2H)-one
이름 더 보기
Cyathin(3aR)-2,3,3a,4,5,5a,6,9,10,10aβ-Decahydro-6-hydroxy-3aβ,5aα-dimethyl-1-isopropyl-6α,9α-epoxycyclohept[e]indene-8-methanol(3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6-hydroxy-6α,9α-epoxy-2,3,3a,4,5,5a,6,9,10,10aβ-decahydrocyclohepta[e]indene-8-methanol6,9-Epoxycyclohept[e]indene-8-methanol, 2,3,3a,4,5,5a,6,9,10,10a-decahydro-6-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-, (3aR,5aR,6R,9R,10aR)-
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 586
물리화학적 성질
- 끓는 점
- 450.6 · 450.6±45.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.24 · 12.24±0.70(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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