(Q105247587)

English

2-[(3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]prop-2-enal

group of stereoisomers with the chemical formula C₃₀H₄₈O₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

440.365430776 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12

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isomeric SMILES

C=C(C=O)C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Lychnophora pseudovillosissima

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stated in

Sesquiterpene lactones, triterpenes and flavones from Lychnophora ericoides and Lychnophora pseudovillosissima

Lychnophora rupestris

1 reference

stated in

Eremantholides and a guaianolide from Lychnophora rupestris

Identifiers

InChI

InChI=1S/C30H48O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h18,20-25,32H,1,8-17H2,2-7H3/t20?,21-,22+,23-,24?,25-,27-,28+,29-,30-/m1/s1

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InChIKey

RYHMCEZDZZBPAQ-OLCSGAMTSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105247587)

2-[(3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]prop-2-enal

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