(Q105207774)

English

[(1R,2S,4aR,6aS,7R,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,7,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cassane diterpenoid

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mass

432.214803364 dalton

1 reference

1 reference

C₂₄H₃₂O₇

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canonical SMILES

O=C1OC2=CC3C(CCC4(O)C(C)(C)CC(OC(=O)C)C(OC(=O)C)C34C)C(C2=C1)C

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isomeric SMILES

CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CC[C@@H]3[C@@H](C=C4OC(=O)C=C4[C@@H]3C)[C@@]2(C)[C@H]1OC(C)=O

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found in taxon

Guilandina bonduc

1 reference

stated in

Chemical studies on the Philippine crude drug calumbibit (seeds of Caesalpinia bonduc): the isolation of new cassane diterpenes fused with alpha,beta-butenolide

Identifiers

InChI

InChI=1S/C24H32O7/c1-12-15-7-8-24(28)22(4,5)11-19(29-13(2)25)21(30-14(3)26)23(24,6)17(15)10-18-16(12)9-20(27)31-18/h9-10,12,15,17,19,21,28H,7-8,11H2,1-6H3/t12-,15+,17-,19+,21+,23+,24-/m1/s1

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InChIKey

PFIWRCVWRGIPSM-CAYSQDIGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFIWRCVWRGIPSM-CAYSQDIGSA-N

(Q105207774)

[(1R,2S,4aR,6aS,7R,11aS,11bS)-1-acetyloxy-4a-hydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,5,6,6a,7,11a-octahydronaphtho[2,1-f][1]benzofuran-2-yl] acetate

Statements

Identifiers

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