Chem
J-GLOBAL ID：200907000431399938   Nikkaji number：J1.043.030E

Kansuiphorin B

カンスイホリンB
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： C54H90O10
Molecular formula furigana： C54-H90-O10
Molecular weight： 899.304
InChI： InChI=1S/C54H90O10/c1-10-12-14-16-18-20-21-22-23-25-26-28-30-32-41(55)61-36-52-47(64-52)43-44-50(8,9)53(44,63-42(56)33-31-29-27-24-19-17-15-13-11-2)35-39(6)51(45(43)57)34-38(5)46(54(51,60)49(52)59)62-48(58)40(7)37(3)4/h34,37,39-40,43-44,46-47,49,59-60H,10-33,35-36H2,1-9H3/t39-,40?,43-,44-,46+,47?,49-,51?,52?,53?,54-/m1/s1
InChI key： DQVMDPSQAAGKSN-SIFGSMELSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OCC12OC1[C@@H]1[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]2O)C1=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,3,4,5,5a,6,9,10,10a-デカヒドロ-1H-2,8a-メタノ-3,4-エポキシシクロペンタ[a]シクロプロパ[e]シクロデセン-11-オン
  • [(4S,5S,6S,10S,11R,15R)-4-[(2,3-ジメチルブタノイル)オキシ]-13-(ドデカノイルオキシ)-5,6-ジヒドロキシ-3,12,12,15-テトラメチル-16-オキソ-8-オキサペンタシクロ[8.5.1.01,5.07,9.011,13]ヘキサデカ-2-エン-7-イル]メチル ヘキサデカノアート
  • [(4S,5S,6S,10S,11R,15R)-4-[(2,3-dimethylbutanoyl)oxy]-13-(dodecanoyloxy)-5,6-dihydroxy-3,12,12,15-tetramethyl-16-oxo-8-oxapentacyclo[8.5.1.01,5.07,9.011,13]hexadec-2-en-7-yl]methyl hexadecanoate
Other name (3)：
  • (1aR)-1,1,7,9α-Tetramethyl-4-[(hexadecanoyloxy)methyl]-5β,5aβ-dihydroxy-6β-(2,3-dimethylbutyryloxy)-10a-(dodecanoyloxy)-1aα,2β,3,4,5,5a,6,9,10,10a-decahydro-1H-2,8a-methano-3,4-epoxycyclopenta[a]cyclopropa[e]cyclodecene-11-one
  • カンスイホリンB
  • Kansuiphorin B
CAS registry number： 135928-39-1
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