Chem
J-GLOBAL ID:200907028551472258
Nikkaji number:J1.043.029A
Kansuiphorin A
カンスイホリンA
Download MOL file
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:
C54 H90 O9
Molecular formula furigana:
C54-H90-O9
Molecular weight:
883.305
InChI:
InChI=1S/C54H90O9/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-44(55)61-37-42-34-43-46-51(8,9)53(46,63-45(56)33-31-29-27-24-19-17-15-13-11-2)36-40(6)52(48(43)58)35-39(5)49(54(52,60)47(42)57)62-50(59)41(7)38(3)4/h34-35,38,40-41,43,46-47,49,57,60H,10-33,36-37H2,1-9H3/t40-,41?,43-,46-,47-,49+,52?,53?,54+/m1/s1
InChI key:
ILEDHBXLZDJQHK-VUWDTGPMSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC1=C[C@@H]2[C@@H]3C(C)(C)C3(C[C@@H](C)C3(C=C(C)[C@H](OC(=O)C(C)C(C)C)[C@@]3(O)[C@@H]1O)C2=O)OC(=O)CCCCCCCCCCC
Systematic name (3):
(1aR)-1,1,7,9α-テトラメチル-4-[(ヘキサデカノイルオキシ)メチル]-5β,5aβ-ジヒドロキシ-6β-(2,3-ジメチルブチリルオキシ)-10a-(ドデカノイルオキシ)-1aα,2β,5,5a,6,9,10,10a-オクタヒドロ-1H-2,8a-メタノシクロペンタ[a]シクロプロパ[e]シクロデセン-11-オン
[(4S,5S,6R,9R,10R,14R)-4-[(2,3-ジメチルブタノイル)オキシ]-12-(ドデカノイルオキシ)-5,6-ジヒドロキシ-3,11,11,14-テトラメチル-15-オキソテトラシクロ[7.5.1.01,5 .010,12 ]ペンタデカ-2,7-ジエン-7-イル]メチル ヘキサデカノアート
[(4S,5S,6R,9R,10R,14R)-4-[(2,3-dimethylbutanoyl)oxy]-12-(dodecanoyloxy)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5 .010,12 ]pentadeca-2,7-dien-7-yl]methyl hexadecanoate
Other name (5):
(1aR)-1,1,7,9α-Tetramethyl-4-[(hexadecanoyloxy)methyl]-5β,5aβ-dihydroxy-6β-(2,3-dimethylbutyryloxy)-10a-(dodecanoyloxy)-1aα,2β,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecene-11-one
カンスイホリンA
Kansuiphorin A
(-)-カンスイホリンA
(-)-Kansuiphorin A
CAS registry number:
135883-24-8
Thsaurus map:
Return to Previous Page