(Q105204089)

English

(3S,4aR,10abeta)-4aalpha,6aalpha,7,10balpha-Tetramethyl-1beta,6alpha-bis(benzoyloxy)-5'-oxotetradecahydrospiro[3H-naphtho[2,1-b]pyran-3,3'(2'H)-furan]-7-ene-4'beta,5beta-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

clerodane diterpenoid

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mass

590.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈O₉

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canonical SMILES

O=C(OC1CC2(OC3(C)C(O)C(OC(=O)C=4C=CC=CC4)C5(C(=CCCC5C13C)C)C)COC(=O)C2O)C=6C=CC=CC6

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isomeric SMILES

CC1=CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@@]4(COC(=O)[C@@H]4O)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C

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found in taxon

Scutellaria barbata

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stated in

Neo-clerodane diterpenoids from Scutellaria barbata with activity against Epstein-Barr virus lytic replication

Identifiers

InChI

InChI=1S/C34H38O9/c1-20-12-11-17-23-31(20,2)27(42-29(38)22-15-9-6-10-16-22)25(35)33(4)32(23,3)24(41-28(37)21-13-7-5-8-14-21)18-34(43-33)19-40-30(39)26(34)36/h5-10,12-16,23-27,35-36H,11,17-19H2,1-4H3/t23-,24-,25-,26-,27-,31-,32-,33-,34-/m0/s1

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InChIKey

OZTNIMLSGDADPT-LNLDCUPPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZTNIMLSGDADPT-LNLDCUPPSA-N

1 reference

(Q105204089)

(3S,4aR,10abeta)-4aalpha,6aalpha,7,10balpha-Tetramethyl-1beta,6alpha-bis(benzoyloxy)-5'-oxotetradecahydrospiro[3H-naphtho[2,1-b]pyran-3,3'(2'H)-furan]-7-ene-4'beta,5beta-diol

Statements

Identifiers

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