(Q105234284)

English

(1R,2R,3R,4R,7S,10R,11R,14S)-2,3,10-tris(acetyloxy)-4,14,15,15-tetramethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl (2E)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₅H₄₂O₉

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instance of

group of stereoisomers

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subclass of

(2R,3R,4R,7S,10R,11R,14S)-2,3,10-tris(acetyloxy)-4,14,15,15-tetramethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl (2E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

606.2828829239999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₄₂O₉

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canonical SMILES

O=C(OC1C(=C)C23C(OC(=O)C)C4CC(=O)C(C)C3(C(OC(=O)C)C(OC(=O)C)C2(C)CC1)C4(C)C)C=CC=5C=CC=CC5

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isomeric SMILES

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)C123)C4(C)C

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Identifiers

InChI

InChI=1S/C35H42O9/c1-19-26(39)18-25-29(41-21(3)36)35-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-33(35,8)30(42-22(4)37)31(43-23(5)38)34(19,35)32(25,6)7/h9-15,19,25,27,29-31H,2,16-18H2,1,3-8H3/b15-14+/t19-,25+,27+,29-,30+,31+,33+,34-,35?/m1/s1

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InChIKey

RDKGWOCOLMOGRF-PDTXSCQZSA-N

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PubChem CID

44326879

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105234284)

(1R,2R,3R,4R,7S,10R,11R,14S)-2,3,10-tris(acetyloxy)-4,14,15,15-tetramethyl-8-methylidene-13-oxotetracyclo[9.3.1.0¹,⁹.0⁴,⁹]pentadecan-7-yl (2E)-3-phenylprop-2-enoate

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