(Q72480829)

English

Grandiflorenic acid

group of stereoisomers with the chemical formula C₂₀H₂₈O₂

9,11-Dehydro-ent-kaurenoic acid

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Statements

group of stereoisomers

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kaurane diterpenoid

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kaurane diterpenoid

300.208930136 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₂₈O₂

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CCC4C(=C)CC3(CCC12)C4)C

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isomeric SMILES

C=C1CC23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)C2=CCC1C3

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1 reference

REVISED 13C-NMR ASSIGNMENTS OF KAURENOIDS FROM WEDELIA PROSTRATA HOOK et ARN (HEMSL)

Identifiers

InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14?,15-,18+,19+,20?/m0/s1

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RJIPNPHMQGDUBW-MZWQVCBVSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID901373314

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