Chem
J-GLOBAL ID:200907076067896234
Nikkaji number:J1.329.258B
Staminolactone B
スタミノラクトンB
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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:
C38 H42 O12
Molecular formula furigana:
C38-H42-O12
Molecular weight:
690.742
InChI:
InChI=1S/C38H42O12/c1-8-24-27(47-32(42)22-15-11-9-12-16-22)29-36(6)25(19-26(41)38(29)34(44)49-37(24,7)50-38)35(4,5)30(46-21(3)40)28(45-20(2)39)31(36)48-33(43)23-17-13-10-14-18-23/h8-18,24-31,41H,1,19H2,2-7H3/t24-,25-,26+,27+,28-,29+,30+,31-,36-,37+,38-/m0/s1
InChI key:
XMQCLXXXCHXFQN-CWUCWMPNSA-N
SMILES:
CC(=O)O[C@H]1[C@@H](OC(=O)C)C(C)(C)[C@@H]2C[C@@H](O)[C@@]34O[C@@](C)(OC3=O)[C@@H](C=C)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]2(C)[C@H]1OC(=O)c1ccccc1
Systematic name (3):
(8R,13S)-1α,11α-ビス(ベンゾイルオキシ)-2α,3α-ジアセトキシ-7α-ヒドロキシ-12α-ビニル-14,16-ジオキサベイエラン-15-オン
(1R,2R,4S,6S,7S,8R,9S,10S,11S,12S,13S)-6,7-ビス(アセチルオキシ)-8-(ベンゾイルオキシ)-12-エテニル-2-ヒドロキシ-5,5,9,13-テトラメチル-15-オキソ-14,16-ジオキサテトラシクロ[11.2.1.01,10 .04,9 ]ヘキサデカン-11-イル ベンゾアート
(1R,2R,4S,6S,7S,8R,9S,10S,11S,12S,13S)-6,7-bis(acetyloxy)-8-(benzoyloxy)-12-ethenyl-2-hydroxy-5,5,9,13-tetramethyl-15-oxo-14,16-dioxatetracyclo[11.2.1.01,10 .04,9 ]hexadecan-11-yl benzoate
Other name (3):
(8R,13S)-1α,11α-Bis(benzoyloxy)-2α,3α-diacetoxy-7α-hydroxy-12α-vinyl-14,16-dioxabeyerane-15-one
スタミノラクトンB
Staminolactone B
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