(Q115966775)

English

(1S,4S,6S,8R,9R,12R,13R,14R,16S,18R)-6,9,14,18-tetrahydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,11-dione

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

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canonical SMILES

O=C1OC2CC(O)C(C)(C)C3C(O)OC(=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)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC(=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/C20H26O8/c1-7-8-4-9(21)12-19(6-8,14(7)23)16(25)27-11-5-10(22)18(2,3)13-15(24)28-17(26)20(11,12)13/h8-15,21-24H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12-,13-,14-,15-,19+,20-/m1/s1

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InChIKey

WTTXOCIXCSNVQR-QLNTUUFASA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

WTTXOCIXCSNVQR-QLNTUUFASA-N

1 reference

(Q115966775)

(1S,4S,6S,8R,9R,12R,13R,14R,16S,18R)-6,9,14,18-tetrahydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,11-dione

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Identifiers

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