Chem
J-GLOBAL ID:200907058278318913
Nikkaji number:J776.732C
Neoabietadiene
ネオアビエタジエン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H32
Molecular formula furigana:
C20-H32
Molecular weight:
272.476
InChI:
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h13,17-18H,6-12H2,1-5H3/t17-,18-,20+/m0/s1
InChI key:
MRRHSEMHYVQUFK-CMKODMSKSA-N
SMILES:
CC(=C1CC[C@H]2C(=C1)CC[C@H]1C(C)(C)CCC[C@]21C)C
Systematic name (4):
(4aS)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-ドデカヒドロ-1,1,4aβ-トリメチル-7-イソプロピリデンフェナントレン
アビエタ-8(14),13(15)-ジエン
(4aS,4bS,10aS)-1,1,4a-トリメチル-7-(プロパン-2-イリデン)-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン
(4aS,4bS,10aS)-1,1,4a-trimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene
Other name (4):
ネオアビエタジエン
Neoabietadiene
(4aS)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-Dodecahydro-1,1,4aβ-trimethyl-7-isopropylidenephenanthrene
Abieta-8(14),13(15)-diene
CAS registry number:
57119-12-7
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