(Q105372943)

English

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

chemical compound

In more languages

Statements

type of chemical entity

0 references

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

1 reference

based on heuristic

inferred from SMILES

480.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,4aS,6aS,12bR,14aS,14bR)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-8-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₆

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

Kokoona zeylanica

1 reference

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=1S/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25+,26+,27-,28+,29-/m0/s1

0 references

ZDZSFWLPCFRASW-WPANOKLWSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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