(Q105111191)

English

methyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-2-hydroxy-3a,5a-dimethyl-1-oxo-3,3b,4,5,6,7,8,8a,8b,9-decahydroindeno[5,4-e]indene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 6-(5,6-dimethylhept-3-en-2-yl)-2-hydroxy-3a,5a-dimethyl-1-oxo-3,3b,4,5,6,7,8,8a,8b,9-decahydroindeno[5,4-e]indene-2-carboxylate

1 reference

1 reference

456.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₄

0 references

canonical SMILES

O=C(OC)C1(O)C(=O)C2=CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)C1

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isomeric SMILES

COC(=O)[C@]1(O)C[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/[C@@H](C)C(C)C)C1=O

0 references

found in taxon

Phorbas amaranthus

1 reference

stated in

Phorbasterones A-D, cytotoxic nor-ring A steroids from the sponge Phorbas amaranthus

Identifiers

InChI

InChI=1S/C29H44O4/c1-17(2)18(3)8-9-19(4)21-12-13-22-20-10-11-24-25(30)29(32,26(31)33-7)16-28(24,6)23(20)14-15-27(21,22)5/h8-9,11,17-23,32H,10,12-16H2,1-7H3/b9-8+/t18-,19+,20+,21-,22+,23+,27-,28-,29+/m1/s1

0 references

InChIKey

ICVWSINXYBAOLU-VDZCTEIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ICVWSINXYBAOLU-VDZCTEIPSA-N

(Q105111191)

methyl (2S,3aR,3bS,5aR,6R,8aS,8bS)-6-[(E,2S,5S)-5,6-dimethylhept-3-en-2-yl]-2-hydroxy-3a,5a-dimethyl-1-oxo-3,3b,4,5,6,7,8,8a,8b,9-decahydroindeno[5,4-e]indene-2-carboxylate

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Identifiers

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