(Q105226088)

English

(1S,4S,6R,7R,12R,13R,16R,18R)-8,8,18-trimethyl-17-methylidene-5-oxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-6-ol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

330.255880328 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₂

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canonical SMILES

OC1OC2CCC34CC(C(=C)C3C)CCC4C52CCCC(C)(C)C15

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isomeric SMILES

C=C1[C@@H]2CC[C@@H]3[C@@](CC[C@@H]4O[C@@H](O)[C@@H]5C(C)(C)CCC[C@]453)(C2)[C@@H]1C

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found in taxon

Isodon sculponeatus

1 reference

stated in

6,7-seco-ent-kaurane diterpenoids from Isodon sculponeatus with cytotoxic activity

Identifiers

InChI

InChI=1S/C22H34O2/c1-13-14(2)21-11-8-17-22(16(21)7-6-15(13)12-21)10-5-9-20(3,4)18(22)19(23)24-17/h14-19,23H,1,5-12H2,2-4H3/t14-,15-,16-,17+,18-,19-,21+,22+/m1/s1

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InChIKey

QQVXUHFOESUWNL-DUWLHNOISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQVXUHFOESUWNL-DUWLHNOISA-N

(Q105226088)

(1S,4S,6R,7R,12R,13R,16R,18R)-8,8,18-trimethyl-17-methylidene-5-oxapentacyclo[14.2.1.01,13.04,12.07,12]nonadecan-6-ol

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Identifiers

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