(Q105029559)

English

(2R)-2-[(2R)-2-[(1'R,2S,3R,3aS,3'aR,6R,7aR,7'aR)-2-hydroxy-6-methoxy-3a,3'a,7,7,7'a-pentamethyl-4'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-1'-yl]propyl]-4-methyl-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

2-[2-(2-hydroxy-6-methoxy-3a,3'a,7,7,7'a-pentamethyl-4'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-1'-yl)propyl]-4-methyl-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

500.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₅

0 references

canonical SMILES

O=C1OC(C=C1C)CC(C)C2CCC3(C(=O)C4(CCC23C)C(O)CC5C(C)(C)C(OC)CCC54C)C

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isomeric SMILES

CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@@]23CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]4C=C(C)C(=O)O4)CC[C@@]2(C)C3=O)C1(C)C

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found in taxon

Abies veitchii

1 reference

stated in

The structure of spiroveitchionolide, an unusual lanostane-type triterpene lactone from Abies veitchii

Identifiers

InChI

InChI=1S/C31H48O5/c1-18(15-20-16-19(2)25(33)36-20)21-9-11-30(7)26(34)31(14-13-28(21,30)5)23(32)17-22-27(3,4)24(35-8)10-12-29(22,31)6/h16,18,20-24,32H,9-15,17H2,1-8H3/t18-,20-,21-,22+,23+,24-,28-,29+,30+,31-/m1/s1

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InChIKey

HKAFMWUZQIJIPJ-NBYGBCCTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HKAFMWUZQIJIPJ-NBYGBCCTSA-N

1 reference

(Q105029559)

(2R)-2-[(2R)-2-[(1'R,2S,3R,3aS,3'aR,6R,7aR,7'aR)-2-hydroxy-6-methoxy-3a,3'a,7,7,7'a-pentamethyl-4'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,5'-2,3,6,7-tetrahydro-1H-indene]-1'-yl]propyl]-4-methyl-2H-furan-5-one

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