(Q105210808)

English

(1S,3S,4S,6S,7S,8S,11S,12S,15R,16R)-15-[(2R)-4-carboxybutan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

462.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

norquadrangularic acid A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₆

0 references

canonical SMILES

O=C(O)CCC(C)C1CCC2(C)C3CCC4C(C(=O)O)(C)C(O)CC(O)C54CC35CCC12C

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isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C

0 references

found in taxon

Combretum quadrangulare

1 reference

stated in

Thirteen novel cycloartane-type triterpenes from Combretum quadrangulare

Identifiers

InChI

InChI=1S/C27H42O6/c1-15(5-8-21(30)31)16-9-10-24(3)17-6-7-18-25(4,22(32)33)19(28)13-20(29)27(18)14-26(17,27)12-11-23(16,24)2/h15-20,28-29H,5-14H2,1-4H3,(H,30,31)(H,32,33)/t15-,16-,17+,18-,19+,20+,23-,24+,25+,26+,27-/m1/s1

0 references

InChIKey

PLBUBUFCNAFBIN-RYZMGGSQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105210808)

(1S,3S,4S,6S,7S,8S,11S,12S,15R,16R)-15-[(2R)-4-carboxybutan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Statements

Identifiers

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