(Q105006273)

English

[(1R,2S,4aR,6S,6aS,7R,10aR,11aS,11bS)-1-acetyloxy-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(1-acetyloxy-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

466.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₉

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canonical SMILES

O=C1OC2(O)C(=C1)C(C)C3C(O)CC4(O)C(C)(C)CC(OC(=O)C)C(OC(=O)C)C4(C)C3C2

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isomeric SMILES

CC(=O)O[C@H]1CC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](C[C@@]4(O)OC(=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/C24H34O9/c1-11-14-7-18(28)33-23(14,29)8-15-19(11)16(27)9-24(30)21(4,5)10-17(31-12(2)25)20(22(15,24)6)32-13(3)26/h7,11,15-17,19-20,27,29-30H,8-10H2,1-6H3/t11-,15-,16-,17-,19-,20-,22-,23+,24+/m0/s1

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InChIKey

GCGCZEGAELXNPM-AOHGUIDWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCGCZEGAELXNPM-AOHGUIDWSA-N

1 reference

(Q105006273)

[(1R,2S,4aR,6S,6aS,7R,10aR,11aS,11bS)-1-acetyloxy-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-2-yl] acetate

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