(Q105214261)

English

dimethyl (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,8-dimethyl 9-hydroxy-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

514.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₅₀O₅

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canonical SMILES

O=C(OC)C1(C)C(O)CCC2(C)C1CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C(=O)OC)CCC43C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C(=O)OC)[C@@H]5CC[C@]43C)[C@@H]12

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found in taxon

Schefflera taiwaniana

1 reference

stated in

Cytotoxic Components from the Leaves ofSchefflera Taiwaniana

Identifiers

InChI

InChI=1S/C32H50O5/c1-19(2)20-11-16-32(27(35)37-8)18-17-29(4)21(25(20)32)9-10-22-28(3)14-13-24(33)31(6,26(34)36-7)23(28)12-15-30(22,29)5/h20-25,33H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24+,25+,28+,29+,30+,31-,32-/m0/s1

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InChIKey

PSMBCSNLCOGQNH-ZESURFQCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PSMBCSNLCOGQNH-ZESURFQCSA-N

1 reference

(Q105214261)

dimethyl (1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylate

Statements

Identifiers

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