Chem
J-GLOBAL ID：200907020848506363   Nikkaji number：J1.741.557C

(20Z)-7α,8α-Epoxy-15β,23-dihydroxy-12-oxo-3,4-secolanosta-4(28),9(11),20(22)-triene-3,26-dioic acid 3-methyl ester

(20Z)-7α,8α-エポキシ-15β,23-ジヒドロキシ-12-オキソ-3,4-セコラノスタ-4(28),9(11),20(22)-トリエン-3,26-二酸3-メチル
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： C31H44O8
Molecular formula furigana： C31-H44-O8
Molecular weight： 544.685
InChI： InChI=1S/C31H44O8/c1-16(2)20-14-25-31(39-25)22(28(20,5)10-9-26(35)38-8)15-23(33)29(6)21(13-24(34)30(29,31)7)17(3)11-19(32)12-18(4)27(36)37/h11,15,18-21,24-25,32,34H,1,9-10,12-14H2,2-8H3,(H,36,37)/b17-11-/t18?,19?,20-,21+,24+,25+,28-,29-,30+,31-/m0/s1
InChI key： NIGRBWYNYOEGOL-NOXGGFABSA-N
SMILES： COC(=O)CC[C@@]1(C)[C@@H](C[C@H]2O[C@]32C1=CC(=O)[C@]1(C)[C@H](C[C@@H](O)[C@@]31C)/C(=C\C(O)CC(C)C(=O)O)/C)C(=C)C
Systematic name  (3)：
  • (20Z)-7α,8α-エポキシ-15β,23-ジヒドロキシ-12-オキソ-3,4-セコラノスタ-4(28),9(11),20(22)-トリエン-3,26-二酸3-メチル
  • (5Z)-4-ヒドロキシ-6-[(1R,2S,3R,5R,6R,10S,11S,13R)-3-ヒドロキシ-10-(3-メトキシ-3-オキソプロピル)-2,6,10-トリメチル-7-オキソ-11-(プロパ-1-エン-2-イル)-14-オキサテトラシクロ[7.5.0.01,13.02,6]テトラデカ-8-エン-5-イル]-2-メチルヘプタ-5-エン酸
  • (5Z)-4-hydroxy-6-[(1R,2S,3R,5R,6R,10S,11S,13R)-3-hydroxy-10-(3-methoxy-3-oxopropyl)-2,6,10-trimethyl-7-oxo-11-(prop-1-en-2-yl)-14-oxatetracyclo[7.5.0.01,13.02,6]tetradec-8-en-5-yl]-2-methylhept-5-enoic acid
Other name (1)：
  • (20Z)-7α,8α-Epoxy-15β,23-dihydroxy-12-oxo-3,4-secolanosta-4(28),9(11),20(22)-triene-3,26-dioic acid 3-methyl ester
Thsaurus map：
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