Chem
J-GLOBAL ID：201307095228738984   Nikkaji number：J3.154.168I

Nahuoic acid A

ナフオ酸A
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： C30H50O7
Molecular formula furigana： C30-H50-O7
Molecular weight： 522.722
InChI： InChI=1S/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/t19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,30+/m0/s1
InChI key： ZNAYXHSDZPSFLO-ZWKIGEDYSA-N
SMILES： CC(C)[C@H](O)[C@H](C)[C@H](O)C[C@@H](O)CC=C(C)[C@H]1[C@H](C=C(C)C(=O)O)[C@H]2[C@@H](C)[C@H](O)C[C@@H](O)[C@@]2(C)C=C1C
Systematic name  (3)：
  • 3-[3,4,4aα,5,6,7,8,8a-オクタヒドロ-3β-[(4S,6R,7R,8S)-4,6,8-トリヒドロキシ-1,7,9-トリメチル-1-デセン-1-イル]-2,5β,8aα-トリメチル-6α,8β-ジヒドロキシナフタレン-4α-イル]-2-メチルプロペン酸
  • 3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-ジヒドロキシ-3,4a,8-トリメチル-2-[(5S,7R,8R,9S)-5,7,9-トリヒドロキシ-8,10-ジメチルウンデカ-2-エン-2-イル]-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]-2-メチルプロパ-2-エン酸
  • 3-[(1R,2R,4aR,5R,7R,8R,8aS)-5,7-dihydroxy-3,4a,8-trimethyl-2-[(5S,7R,8R,9S)-5,7,9-trihydroxy-8,10-dimethylundec-2-en-2-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-methylprop-2-enoic acid
Other name (3)：
  • 3-[3,4,4aα,5,6,7,8,8a-Octahydro-3β-[(4S,6R,7R,8S)-4,6,8-trihydroxy-1,7,9-trimethyl-1-decene-1-yl]-2,5β,8aα-trimethyl-6α,8β-dihydroxynaphthalene-4α-yl]-2-methylpropenoic acid
  • Nahuoic acid A
  • ナフオ酸A
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