(Q115972481)

English

(1S,2S,5S,6S,8R,9R,10R,13R,17S)-6,9-dihydroxy-6-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(16S)-6alpha,7beta,16,17-Tetrahydroxykaurane-18-oic acid 18,6-lactone

1 reference

based on heuristic

inferred from InChI

(16S)-6beta,7beta,16,17-Tetrahydroxykaurane-19-oic acid 19,6-lactone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

O=C1OC2C(O)C34CC(CCC3C5(C)CCCC1(C)C25)C(O)(CO)C4

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isomeric SMILES

C[C@]12CCC[C@@]3(C)C(=O)O[C@@H]([C@H](O)[C@@]45C[C@H](CC[C@@H]14)[C@](O)(CO)C5)[C@@H]23

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found in taxon

Ipomoea nil

1 reference

stated in

Diterpene glycosides from the seeds of Pharbitis nil.

Identifiers

InChI

InChI=1S/C20H30O5/c1-17-6-3-7-18(2)14(17)13(25-16(18)23)15(22)19-8-11(4-5-12(17)19)20(24,9-19)10-21/h11-15,21-22,24H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,17-,18+,19+,20+/m0/s1

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InChIKey

ZYXMLFBHDMOYPT-XLTSCHSJSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ZYXMLFBHDMOYPT-XLTSCHSJSA-N

1 reference

(Q115972481)

(1S,2S,5S,6S,8R,9R,10R,13R,17S)-6,9-dihydroxy-6-(hydroxymethyl)-1,13-dimethyl-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one

Statements

Identifiers

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