Chem
J-GLOBAL ID：200907020325343860   Nikkaji number：J1.741.565D

Elfvingic acid H

エルフビング酸H
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： C30H42O8
Molecular formula furigana： C30-H42-O8
Molecular weight： 530.658
InChI： InChI=1S/C30H42O8/c1-15(2)19-13-24-30(38-24)21(27(19,5)9-8-25(34)35)14-22(32)28(6)20(12-23(33)29(28,30)7)16(3)10-18(31)11-17(4)26(36)37/h10,14,17-20,23-24,31,33H,1,8-9,11-13H2,2-7H3,(H,34,35)(H,36,37)/b16-10-/t17?,18?,19-,20+,23+,24+,27-,28-,29+,30-/m0/s1
InChI key： IVUMPSQJAYHIRL-BBJXBSGMSA-N
SMILES： CC(CC(O)/C=C(/C)\[C@H]1C[C@@H](O)[C@@]2(C)[C@@]34O[C@@H]3C[C@@H](C(=C)C)[C@](C)(CCC(=O)O)C4=CC(=O)[C@]12C)C(=O)O
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
  • (5Z)-6-[(1R,2S,3R,5R,6R,10S,11S,13R)-10-(2-カルボキシエチル)-3-ヒドロキシ-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]-4-ヒドロキシ-2-メチルヘプタ-5-エン酸
  • (5Z)-6-[(1R,2S,3R,5R,6R,10S,11S,13R)-10-(2-carboxyethyl)-3-hydroxy-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]-4-hydroxy-2-methylhept-5-enoic acid
Other name (3)：
  • (20Z)-7α,8α-Epoxy-15β,23-dihydroxy-12-oxo-3,4-secolanosta-4(28),9(11),20(22)-triene-3,26-dioic acid
  • エルフビング酸H
  • Elfvingic acid H
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