Chem
J-GLOBAL ID:200907026978205142
Nikkaji number:J779.796F
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-tert-butyl-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-2α-tert-ブチル-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-11-オン
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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:
C30 H39 NO7
Molecular formula furigana:
C30-H39-N-O7
Molecular weight:
525.642
InChI:
InChI=1S/C30H39NO7/c1-27(2,3)26-35-15-29(5)19-13-20(32)30(6)24(28(19,4)10-9-21(29)37-26)23(33)22-18(38-30)12-17(36-25(22)34)16-8-7-11-31-14-16/h7-8,11-12,14,19-21,23-24,26,32-33H,9-10,13,15H2,1-6H3/t19-,20+,21+,23+,24-,26-,28+,29+,30-/m1/s1
InChI key:
XQEJXKHIPDOYGH-JAZIENBOSA-N
SMILES:
CC(C)(C)[C@@H]1OC[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2C[C@H](O)[C@@]2(C)Oc4cc(oc(=O)c4[C@H](O)[C@H]32)c2cccnc2)O1
Systematic name (3):
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-ドデカヒドロ-6α,12α-ジヒドロキシ-2α-tert-ブチル-4aα,6aα,12bα-トリメチル-9-(3-ピリジニル)-2H,11H-1,3,7,10-テトラオキサベンゾ[b]クリセン-11-オン
(1S,2S,3R,11S,12S,14R,15R,18R,20S)-18-tert-ブチル-3,12-ジヒドロキシ-1,11,15-トリメチル-7-(ピリジン-3-イル)-6,10,17,19-テトラオキサペンタシクロ[12.8.0.02,11 .04,9 .015,20 ]ドコサ-4(9),7-ジエン-5-オン
(1S,2S,3R,11S,12S,14R,15R,18R,20S)-18-tert-butyl-3,12-dihydroxy-1,11,15-trimethyl-7-(pyridin-3-yl)-6,10,17,19-tetraoxapentacyclo[12.8.0.02,11 .04,9 .015,20 ]docosa-4(9),7-dien-5-one
Other name (1):
4,4a,4bβ,5,6,6a,12,12aβ,12b,13,14,14aβ-Dodecahydro-6α,12α-dihydroxy-2α-tert-butyl-4aα,6aα,12bα-trimethyl-9-(3-pyridinyl)-2H,11H-1,3,7,10-tetraoxabenzo[b]chrysen-11-one
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