(Q104971950)

English

(3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3Z,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3a,6,6,9a-tetramethyl-3-[6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

462.277009696 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3E,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

(3Z,3aR,5aR,9aR,9bR)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₃₈O₄

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canonical SMILES

O=C1OC(=CC=C1C)C(=CC=CC(=C2C(=O)CC3C2(C)CCC4C(C(=O)CCC34C)(C)C)C)C

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isomeric SMILES

CC(/C=C\C=C(/C)c1ccc(C)c(=O)o1)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C

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found in taxon

Geodia globostellifera

1 reference

stated in

Stelliferin riboside, a triterpene monosaccharide isolated from the Fijian sponge Geodia globostellifera

Rhabdastrella

1 reference

stated in

Isomalabaricane-type compounds from the marine sponge Rhabdastrella aff. distincta.

Rhabdastrella globostellata

1 reference

stated in

Bioactive isomalabaricane triterpenes from the marine sponge Rhabdastrella globostellata

Identifiers

InChI

InChI=1S/C30H38O4/c1-18(22-12-11-20(3)27(33)34-22)9-8-10-19(2)26-21(31)17-24-29(6)16-14-25(32)28(4,5)23(29)13-15-30(24,26)7/h8-12,23-24H,13-17H2,1-7H3/b10-8-,18-9+,26-19+/t23-,24-,29-,30-/m0/s1

0 references

InChIKey

CXOJYPVZDPNKAI-VZWNDMSISA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104971950)

(3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3Z,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione

Statements

Identifiers

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