(Q115971833)

English

(1S,6S,7R,8S,11S,12R,13S,14S,16S,18R)-6,11,14,18-tetrahydroxy-8-(hydroxymethyl)-8-methyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one

group of stereoisomers with the chemical formula C₂₀H₂₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

396.178417856 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₈

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canonical SMILES

O=C1OC2OC(O)C3C(C)(CO)CCC(O)C23C4C(O)CC5C(=C)C(O)C14C5

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isomeric SMILES

C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)OC2O[C@H](O)[C@@H]4[C@@](C)(CO)CC[C@H](O)[C@]243)[C@@H]1O

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found in taxon

Isodon sculponeatus

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stated in

ent-Kaurane and cembrane diterpenoids from Isodon sculponeatus and their cytotoxicity

Identifiers

InChI

InChI=1S/C20H28O8/c1-8-9-5-10(22)12-19(6-9,14(8)24)16(26)28-17-20(12)11(23)3-4-18(2,7-21)13(20)15(25)27-17/h9-15,17,21-25H,1,3-7H2,2H3/t9-,10+,11+,12-,13-,14-,15+,17?,18-,19+,20-/m1/s1

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InChIKey

BEIZFHXFUBNIFJ-DAYWUOASSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

BEIZFHXFUBNIFJ-DAYWUOASSA-N

1 reference

(Q115971833)

(1S,6S,7R,8S,11S,12R,13S,14S,16S,18R)-6,11,14,18-tetrahydroxy-8-(hydroxymethyl)-8-methyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-2-one

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Identifiers

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