(Q115951091)

English

(1S,2S,5S,7R,8S,9S,10S,11R,15S,16R,18S)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(2S,5S,9S,10R,11R,15S,16S,18R)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecane-7,9,10,15,18-pentol

1 reference

based on heuristic

inferred from SMILES

mass

396.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,5R,7S,8S,9R,10R,11S,15R,16R,18S)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol

1 reference

based on heuristic

inferred from InChI

(1S,2R,5R,7S,8S,9R,10R,11S,15R,16S,18S)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol

1 reference

based on heuristic

inferred from InChI

(1R,2S,5S,7R,8R,9S,10S,11R,15S,16R,18R)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₇

0 references

canonical SMILES

OC1C(=C)C2CCC3C45C(O)CCC(C)(C)C5C(O)C(O)(OC4OC)C13C2O

0 references

isomeric SMILES

C=C1[C@@H](O)[C@@]23[C@@H](O)[C@H]1CC[C@H]2[C@]12[C@H](OC)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O

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found in taxon

Isodon rubescens

1 reference

stated in

ent-Abietane diterpenoids from Isodon rubescens var. rubescens.

Identifiers

InChI

InChI=1S/C21H32O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11-,12-,13+,14+,15-,16-,17+,19+,20+,21+/m0/s1

0 references

InChIKey

IGWYEXHQPGSZHK-QRAOQPPBSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

IGWYEXHQPGSZHK-QRAOQPPBSA-N

(Q115951091)

(1S,2S,5S,7R,8S,9S,10S,11R,15S,16R,18S)-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecane-7,9,10,15,18-pentol

Statements

Identifiers

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