HCID15161496

Stemar-13-ene

(1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene

C20H32272.5 g/molCAS 138883-56-4

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IDENTITY

结构与身份

标准SMILES: CC1=C[C@@H]2CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@]23CC[C@@H]1C3
InChIKey: MCRAOCBPZAIHJQ-QBYKVAOYSA-N
分子式: C20H32
平均分子量: 272.5 g/mol
单同位素质量: 272.25040102

COMPUTED

结构计算性质

已同步

XLogP: 6.7
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 0
重原子: 20
形式电荷: 0
复杂度: 457

ALIASES

名称与别名

共 18 条

stemar-13-eneCHEBI:50069(4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta[a]naphthalene(1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene(1R,2S,7S,10S,13R)-2,6,6,12-tetramethyltetracyclo(11.2.1.01,10.02,7)hexadec-11-ene(4aS,6aS,9R,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,3,4,4a,5,6,6a,9,10,11,11b-dodecahydro-9,11a-methanocyclohepta(a)naphthaleneRefChem:932209Stemarene(+)-13-Stemarenesyn-Stemar-13-ene(+)-Stemar-13-eneSCHEMBL29575494MCRAOCBPZAIHJQ-QBYKVAOYSA-NDTXSID501027117LMPR0104030008138883-56-4C18223Q7607306

REACTIONS

参与反应

1 条

uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07833748B1

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