(Q105284880)

English

(3R,3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(21beta)-A'-Neogammacer-22(29)-en-3-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3aR,5aR,5bR,7aS,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

1 reference

based on heuristic

inferred from InChI

17beta(H),21beta(H)-HOP-22(29)-EN-3-ONE

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5(C)CCC(C(=C)C)C5CCC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@H]12

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found in taxon

Maprounea guianensis

1 reference

stated in

Unambiguous structural and nuclear magnetic resonance spectral characterization of two triterpenoids of Maprouneaguianensis by two-dimensional nuclear magnetic resonance spectroscopy

Identifiers

InChI

InChI=1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h20-24H,1,9-18H2,2-8H3/t20-,21+,22-,23-,24+,27-,28-,29+,30+/m0/s1

0 references

InChIKey

VEVKLOLYYQLRRV-HVNNGJFSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105284880)

(3R,3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-2,3,3a,4,5,6,7,7a,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

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Identifiers

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