(Q105035330)

English

(3S,4aR,10abeta)-4aalpha,6aalpha,7,10balpha-Tetramethyl-5beta-acetoxy-6alpha,10beta-bis(3-pyridinylcarbonyloxy)-5'-oxo-1,2,4a,5,6,6a,9,10,10abeta,10b-decahydrospiro[3H-naphtho[2,1-b]pyran-3,3'-oxolane]

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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pyridine alkaloids

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mass

618.257730796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₈N₂O₉

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canonical SMILES

O=C(OC1CC=C(C)C2(C)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C)C4(OC5(COC(=O)C5)CCC4(C)C12)C)C=6C=NC=CC6

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isomeric SMILES

CC(=O)O[C@H]1[C@H](OC(=O)c2cccnc2)[C@@]2(C)C(C)=CC[C@@H](OC(=O)c3cccnc3)[C@@H]2[C@@]2(C)CC[C@]3(COC(=O)C3)O[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/C34H38N2O9/c1-20-10-11-24(43-29(39)22-8-6-14-35-17-22)26-31(3)12-13-34(16-25(38)41-19-34)45-33(31,5)28(42-21(2)37)27(32(20,26)4)44-30(40)23-9-7-15-36-18-23/h6-10,14-15,17-18,24,26-28H,11-13,16,19H2,1-5H3/t24-,26-,27+,28+,31-,32+,33+,34+/m1/s1

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InChIKey

HYHZABLEZGMFII-CCZGNDFLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HYHZABLEZGMFII-CCZGNDFLSA-N

1 reference

(Q105035330)

(3S,4aR,10abeta)-4aalpha,6aalpha,7,10balpha-Tetramethyl-5beta-acetoxy-6alpha,10beta-bis(3-pyridinylcarbonyloxy)-5'-oxo-1,2,4a,5,6,6a,9,10,10abeta,10b-decahydrospiro[3H-naphtho[2,1-b]pyran-3,3'-oxolane]

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Identifiers

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