(Q105152035)

English

(4aR,4bR,6aR,11aR,11bS,13aR)-1,1,4a,6a,9,11b-hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydroindeno[2,1-a]phenanthrene-2,7,10-trione

chemical compound

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instance of

type of chemical entity

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subclass of

1,1,4a,6a,9,11b-Hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydroindeno[2,1-a]phenanthrene-2,7,10-trione

1 reference

based on heuristic

inferred from SMILES

mass

408.266445012 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4aR,4bR,6aR,11aR,11bR,13aR)-1,1,4a,6a,9,11b-hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydroindeno[2,1-a]phenanthrene-2,7,10-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₃

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canonical SMILES

O=C1C=C(C(=O)C2=C1C3(C)CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3C2)C

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isomeric SMILES

CC1=CC(=O)C2=C(C[C@@H]3[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)C1=O

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found in taxon

Taonia atomaria

2 references

stated in

Atomarianones A and B: two cytotoxic meroditerpenes from the brown alga Taonia atomaria

stated in

Atomarianones A and B: two cytotoxic meroditerpenes from the brown alga Taonia atomaria

Identifiers

InChI

InChI=1S/C27H36O3/c1-15-13-17(28)22-16(23(15)30)14-20-26(5)10-7-18-24(2,3)21(29)9-12-25(18,4)19(26)8-11-27(20,22)6/h13,18-20H,7-12,14H2,1-6H3/t18-,19-,20+,25-,26-,27+/m0/s1

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InChIKey

LHXQBDMMENBRBK-VBDLMAEQSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LHXQBDMMENBRBK-VBDLMAEQSA-N

1 reference

(Q105152035)

(4aR,4bR,6aR,11aR,11bS,13aR)-1,1,4a,6a,9,11b-hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydroindeno[2,1-a]phenanthrene-2,7,10-trione

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Identifiers

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