(Q104989198)

English

(1R,4R,5R,8R,10S,13R,14R,17R,18R,19S)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one

chemical compound

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instance of

type of chemical entity

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subclass of

(4R,5R,8R,10S,13R,14R,17R,18R,19R)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-21-one

1 reference

based on heuristic

inferred from SMILES

10-Hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one

1 reference

based on heuristic

inferred from SMILES

mass

414.313395204 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4R,5R,8R,10S,13R,14R,17R,18R,19R)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₂O₃

0 references

canonical SMILES

O=C1OC2CCC13CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C23

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isomeric SMILES

CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H]4CC[C@@]3(CC[C@]21C)C(=O)O4

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found in taxon

Diospyros maritima

1 reference

stated in

Six new compounds from the heartwood of Diospyros maritima

Leptospermum scoparium

1 reference

stated in

Three Lupane Derivatives fromLeptospermum scoparium

Identifiers

InChI

InChI=1S/C27H42O3/c1-23(2)18-9-12-26(5)19(24(18,3)11-10-20(23)28)7-6-16-21-17-8-13-27(21,22(29)30-17)15-14-25(16,26)4/h16-21,28H,6-15H2,1-5H3/t16-,17+,18+,19-,20+,21+,24+,25-,26-,27+/m1/s1

0 references

InChIKey

DUENBZLSJKSMFL-XCMIPZGMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DUENBZLSJKSMFL-XCMIPZGMSA-N

1 reference

(Q104989198)

(1R,4R,5R,8R,10S,13R,14R,17R,18R,19S)-10-hydroxy-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosan-21-one

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Identifiers

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