(Q105193215)

English

(3R,4R,6R,8R)-3-benzoyl-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]tricyclo[4.3.1.13,8]undecane-2,9,11-trione

group of stereoisomers with the chemical formula C₃₈H₅₂O₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

620.371304004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₂O₇

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canonical SMILES

O=C(C=1C=CC=CC1)C23C(=O)C4(C(=O)C(C2=O)(CC(O)C(O)(C)C)C(C)(C)C(CC3C(O)(C)C)C4)CC(C(=C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@@H](CC=C(C)C)CC12C[C@H]3C[C@@H](C(C)(C)O)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](C[C@@H](O)C(C)(C)O)(C2=O)C3(C)C

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Identifiers

InChI

InChI=1S/C38H52O7/c1-22(2)16-17-25(23(3)4)19-36-20-26-18-27(34(7,8)44)38(31(36)42,29(40)24-14-12-11-13-15-24)32(43)37(30(36)41,33(26,5)6)21-28(39)35(9,10)45/h11-16,25-28,39,44-45H,3,17-21H2,1-2,4-10H3/t25-,26+,27-,28+,36?,37+,38+/m0/s1

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InChIKey

OJQJSWYYBRLADU-QCJGIFCZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OJQJSWYYBRLADU-QCJGIFCZSA-N

(Q105193215)

(3R,4R,6R,8R)-3-benzoyl-8-[(2R)-2,3-dihydroxy-3-methylbutyl]-4-(2-hydroxypropan-2-yl)-7,7-dimethyl-1-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]tricyclo[4.3.1.13,8]undecane-2,9,11-trione

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