기본 정보
- CAS
117254-98-5- 표준 SMILES
C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(COC(=O)/C=C/c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O- InChIKey
LXORINFASUBZBQ-JXZRNQGZSA-N- 분자식
- C29H40O4
- 평균 분자량
- 452.6 g/mol
- 단동위원소 질량
- 452.29265975
개요
[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2H-naphthalen-1-yl]methyl (2E)-3-(4-hydroxyphenyl)prop-2-enoate has been reported in Chamaecyparis formosensis, Metasequoia glyptostroboides, and Juniperus brevifolia with data available.
이름 및 식별자
- 우선 이름
- 8alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
- IUPAC
- [(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
- 영어명
- 8α-Hydroxylabda-13(16),14-dien -19-yl p-hydroxycinnaMate
- 분자식
- C29H40O4
- 분자량
- 452.63
이름 및 동의어
117254-98-58alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate(E)-8|A-Hydroxylabda-13(16),14-dien-19-yl coumarate2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aS,5R,6R,8aR)-decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methylene-4-penten-1-yl)-1-naphthalenyl]methyl ester, (2E)-orb1683286CHEMBL1689215C29H40O4MFCD23103726TN3283AKOS040761268FS-9388CS-0158780
이름 더 보기
8Α-HYDROXYLABDA-13(16),14-DIEN-8α-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate8α-Hydroxylabda-13(16),14-dien -19-yl p-hydroxycinnaMate2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1S,4aS,5R,6R,8aR)-decahydro-6-hydroxy-1,4a,6-trimethyl-5-(3-methy lene-4-pentenyl)-1-naphthalenyl]methyl ester, (2E)-
8alpha-Hydroxylabda-13(16),14-dien -19-yl p-hydroxycinnamate[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylenepent-4-enyl)decalin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate[(1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 749
물리화학적 성질
- 녹는점
- 218 °C · 218 °C
- 끓는 점
- 571.1 · 571.1±25.0 °C(Predicted)
- 밀도
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.69 · 9.69±0.26(Predicted)
화학 및 산업
공급사24 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
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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]
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