(Q104946599)

English

(1R,4R,5R,8R,10S,13R,14R,17R,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

oleanane triterpenoid

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mass

456.360345396 dalton

1 reference

1 reference

C₃₀H₄₈O₃

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canonical SMILES

O=C1OC2C3C4CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC13CCC2(C)C

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isomeric SMILES

CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O

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found in taxon

Diospyros virginiana

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stated in

Coumaroyl triterpene lactone, phenolic and naphthalene glycoside from stem bark of Diospyros angustifolia

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22-,23-,27+,28-,29-,30+/m1/s1

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InChIKey

BVJDDPRBYGBPKD-CGGBFJIKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVJDDPRBYGBPKD-CGGBFJIKSA-N

1 reference

(Q104946599)

(1R,4R,5R,8R,10S,13R,14R,17R,18S,19R)-10-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosan-23-one

Statements

Identifiers

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