Chem
J-GLOBAL ID:201507041479814657
Nikkaji number:J3.361.492F
(3S,3aS)-1,2′β-Dihydroxy-4α-(2-methyl-2-butenoyloxy)-4′β-(3-furyl)-3aβ,5′β,6,9aβ-tetramethyl-5′-formyl-5α,6α-(epoxymethano)-7α-methoxy-3a,4,5,5aα,6,7,8,9,9a,9bβ-decahydrospiro[naphtho[1,2-c]furan-3(1H),1′-cyclopentane]-9-one
(3S,3aS)-1,2′β-ジヒドロキシ-4α-(2-メチル-2-ブテノイルオキシ)-4′β-(3-フリル)-3aβ,5′β,6,9aβ-テトラメチル-5′-ホルミル-5α,6α-(エポキシメタノ)-7α-メトキシ-3a,4,5,5aα,6,7,8,9,9a,9bβ-デカヒドロスピロ[ナフト[1,2-c]フラン-3(1H),1′-シクロペンタン]-9-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:
C32 H42 O10
Molecular formula furigana:
C32-H42-O10
Molecular weight:
586.678
InChI:
InChI=1S/C32H42O10/c1-8-16(2)26(36)41-25-22-23-28(3,15-40-22)21(38-7)12-19(34)30(23,5)24-27(37)42-32(31(24,25)6)20(35)11-18(29(32,4)14-33)17-9-10-39-13-17/h8-10,13-14,18,20-25,27,35,37H,11-12,15H2,1-7H3/t18-,20-,21+,22+,23-,24-,25+,27?,28+,29-,30-,31-,32+/m0/s1
InChI key:
UZRUPWZQMBGLNJ-RZRFFLNBSA-N
SMILES:
CO[C@@H]1CC(=O)[C@]2(C)[C@@H]3C(O)O[C@@]4([C@@H](O)C[C@@H](c5ccoc5)[C@]4(C)C=O)[C@]3(C)[C@H](OC(=O)C(=CC)C)[C@@H]3OC[C@@]1(C)[C@@H]23
Systematic name (3):
(3S,3aS)-1,2′β-ジヒドロキシ-4α-(2-メチル-2-ブテノイルオキシ)-4′β-(3-フリル)-3aβ,5′β,6,9aβ-テトラメチル-5′-ホルミル-5α,6α-(エポキシメタノ)-7α-メトキシ-3a,4,5,5aα,6,7,8,9,9a,9bβ-デカヒドロスピロ[ナフト[1,2-c]フラン-3(1H),1′-シクロペンタン]-9-オン
(1S,1'S,2S,2'R,3S,5S,6'S,7'S,8'R,11'R,12'R,15'S)-2-ホルミル-3-(フラン-3-イル)-3',5-ジヒドロキシ-12'-メトキシ-1',2,6',11'-テトラメチル-14'-オキソ-4',9'-ジオキサスピロ[シクロペンタン-1,5'-テトラシクロ[6.6.1.02,6 .011,15 ]ペンタデカン]-7'-イル 2-メチルブタ-2-エノアート
(1S,1'S,2S,2'R,3S,5S,6'S,7'S,8'R,11'R,12'R,15'S)-2-formyl-3-(furan-3-yl)-3',5-dihydroxy-12'-methoxy-1',2,6',11'-tetramethyl-14'-oxo-4',9'-dioxaspiro[cyclopentane-1,5'-tetracyclo[6.6.1.02,6 .011,15 ]pentadecan]-7'-yl 2-methylbut-2-enoate
Other name (1):
(3S,3aS)-1,2′β-Dihydroxy-4α-(2-methyl-2-butenoyloxy)-4′β-(3-furyl)-3aβ,5′β,6,9aβ-tetramethyl-5′-formyl-5α,6α-(epoxymethano)-7α-methoxy-3a,4,5,5aα,6,7,8,9,9a,9bβ-decahydrospiro[naphtho[1,2-c]furan-3(1H),1′-cyclopentane]-9-one
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