(Q125617509)

English

[(1R,3aR,5aS,10aR,12aR)-3a,6,6,12a-tetramethyl-1-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8-oxo-1,2,3,4,5,5a,9,10,11,12-decahydroindeno[5,4-g][2]benzoxepin-10a-yl] acetate

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

512.3137891279999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₆

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canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C4=C(CCC23C)C5(OC(=O)C)CCC(=O)OC(C)(C)C5CC4)C

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isomeric SMILES

CC(=O)O[C@]12CCC(=O)OC(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)CC[C@@]12C

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found in taxon

Tomophagus

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stated in

Highly Modified Lanostane Triterpenes from Fruiting Bodies of the Basidiomycete Tomophagus sp

Identifiers

InChI

InChI=1S/C31H44O6/c1-18-8-10-24(35-27(18)34)19(2)21-12-15-30(7)22-9-11-25-28(4,5)37-26(33)14-17-31(25,36-20(3)32)23(22)13-16-29(21,30)6/h8,19,21,24-25H,9-17H2,1-7H3/t19-,21+,24-,25-,29+,30-,31-/m0/s1

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InChIKey

GCRCSAQLEIJACN-LRZQIAATSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

GCRCSAQLEIJACN-LRZQIAATSA-N

(Q125617509)

[(1R,3aR,5aS,10aR,12aR)-3a,6,6,12a-tetramethyl-1-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-8-oxo-1,2,3,4,5,5a,9,10,11,12-decahydroindeno[5,4-g][2]benzoxepin-10a-yl] acetate

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