Chem
J-GLOBAL ID:200907074076542728
Nikkaji number:J148.879A
Diterpenoid EF-D
ジテルペノイドEF-D
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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:
C27 H38 O7
Molecular formula furigana:
C27-H38-O7
Molecular weight:
474.594
InChI:
InChI=1S/C27H38O7/c1-8-14(2)23(30)34-26-11-16(4)27(32)19(21(26)24(26,6)7)10-18(13-33-17(5)28)12-25(31)20(27)9-15(3)22(25)29/h9-10,14,16,19-21,31-32H,8,11-13H2,1-7H3/t14?,16-,19+,20-,21-,25-,26+,27-/m1/s1
InChI key:
QOSLYAARSBMQOF-NBJLYKDOSA-N
SMILES:
CCC(C)C(=O)O[C@@]12C[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(=C[C@H]3[C@@H]1C2(C)C)COC(=O)C
Systematic name (4):
(1aR)-3-(アセチルオキシメチル)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-4aβ,7bα-ジヒドロキシ-1,1,6,8α-テトラメチル-9aα-(α-メチルブチリルオキシ)-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-5-オン
2-メチルブタン酸1,1aα,1bβ,4,4a,5,7aα,7b,8,9-デカヒドロ-4aβ,7bα-ジヒドロキシ-3-(アセトキシメチル)-1,1,6,8α-テトラメチル-5-オキソ-9aH-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-9aα-イル
(1R,2S,6R,10S,11R,13S,15R)-8-[(アセチルオキシ)メチル]-1,6-ジヒドロキシ-4,12,12,15-テトラメチル-5-オキソテトラシクロ[8.5.0.02,6 .011,13 ]ペンタデカ-3,8-ジエン-13-イル 2-メチルブタノアート
(1R,2S,6R,10S,11R,13S,15R)-8-[(acetyloxy)methyl]-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6 .011,13 ]pentadeca-3,8-dien-13-yl 2-methylbutanoate
Other name (8):
CAS registry number:
25090-73-7
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