(Q105257380)

English

(1S,3R,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-15-[(2R,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

14-Hydroxy-7,7,12,16-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₀O₅

0 references

canonical SMILES

O=C1CCC23CC43CCC5(C)C(C(O)CC5(C)C4CCC2C1(C)C)C(C)CC(O)C(O)C(O)(C)C

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isomeric SMILES

C[C@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C

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found in taxon

Lindheimera texana

1 reference

stated in

Cycloartanes from Lindheimera texana

Identifiers

InChI

InChI=1S/C30H50O5/c1-17(14-18(31)24(34)26(4,5)35)23-19(32)15-28(7)21-9-8-20-25(2,3)22(33)10-11-29(20)16-30(21,29)13-12-27(23,28)6/h17-21,23-24,31-32,34-35H,8-16H2,1-7H3/t17-,18+,19+,20+,21+,23+,24+,27-,28+,29-,30+/m1/s1

0 references

InChIKey

SPDZANQDOPSYIR-FOMMYZGRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPDZANQDOPSYIR-FOMMYZGRSA-N

(Q105257380)

(1S,3R,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-15-[(2R,4S,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

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Identifiers

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