(Q105112574)

English

(2R,4aS,6aR,6aS,14aS,14bS)-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2,9-dicarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2,9-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

496.246103492 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₇

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canonical SMILES

O=C(O)C=1C(O)=C(O)C=C2C1C(=O)C=C3C2(C)CCC4(C)C5CC(C(=O)O)(C)CCC5(C)CCC34C

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isomeric SMILES

C[C@@]12CC[C@]3(C)C4=CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@H]1C[C@](C)(C(=O)O)CC2

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found in taxon

Kokoona zeylanica

1 reference

stated in

Studies on terpenoids and steroids. Part 3. Structure and synthesis of a new phenolic D:A-friedo-24-noroleanane triterpenoid, zeylasterone, from kokoona zeylanica

Identifiers

InChI

InChI=1S/C29H36O7/c1-25-6-7-26(2,24(35)36)14-19(25)29(5)11-9-27(3)15-12-17(31)22(32)21(23(33)34)20(15)16(30)13-18(27)28(29,4)10-8-25/h12-13,19,31-32H,6-11,14H2,1-5H3,(H,33,34)(H,35,36)/t19-,25+,26+,27-,28+,29-/m0/s1

0 references

InChIKey

IGEUWSSSLAVCIX-HTKZLECJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGEUWSSSLAVCIX-HTKZLECJSA-N

(Q105112574)

(2R,4aS,6aR,6aS,14aS,14bS)-10,11-dihydroxy-2,4a,6a,6a,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2,9-dicarboxylic acid

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Identifiers

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