(Q105015696)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

424.370516156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C

0 references

isomeric SMILES

C=C(C)[C@H]1CC[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

Pyrus communis

1 reference

stated in

Alkaloids, triterpenes and other constituents of Discaria crenata

Discaria chacaye

1 reference

stated in

Alkaloids, triterpenes and other constituents of Discaria crenata

Euphorbia watanabei

1 reference

stated in

[Constituents of Euphorbia watanabei. 1]

Identifiers

InChI

InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3/t20-,21-,22+,23+,25+,27-,28-,29+,30-/m1/s1

0 references

InChIKey

GRBHNQFQFHLCHO-DCSQKITESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRBHNQFQFHLCHO-DCSQKITESA-N

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