(Q105253019)

English

(1R,3S,7S,10R,13R,14R,17S,18R)-1,17-dihydroxy-9,9,14,18-tetramethyl-17-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,17-Dihydroxy-9,9,14,18-tetramethyl-17-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

516.308703748 dalton

1 reference

1 reference

C₃₀H₄₄O₇

0 references

canonical SMILES

O=C1OC(CC=C1C)C(C)C2(O)CCC3(C)C4CCC5C(OC6CC(=O)OC65CC4(O)CCC23C)(C)C

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isomeric SMILES

CC1=CC[C@H]([C@H](C)[C@@]2(O)CC[C@]3(C)[C@H]4CC[C@@H]5C(C)(C)O[C@H]6CC(=O)O[C@]65C[C@]4(O)CC[C@@]23C)OC1=O

0 references

found in taxon

Kadsura coccinea

1 reference

stated in

Kadcoccilactones A-J, triterpenoids from Kadsura coccinea

Identifiers

InChI

InChI=1S/C30H44O7/c1-17-7-8-19(35-24(17)32)18(2)30(34)14-11-26(5)21-10-9-20-25(3,4)36-22-15-23(31)37-29(20,22)16-28(21,33)13-12-27(26,30)6/h7,18-22,33-34H,8-16H2,1-6H3/t18-,19+,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1

0 references

InChIKey

SHJXIADUURYPSM-DVYFWEHRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SHJXIADUURYPSM-DVYFWEHRSA-N

(Q105253019)

(1R,3S,7S,10R,13R,14R,17S,18R)-1,17-dihydroxy-9,9,14,18-tetramethyl-17-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-4,8-dioxapentacyclo[11.7.0.03,7.03,10.014,18]icosan-5-one

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