(Q104922332)

English

[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-14-acetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

11-(Acetyloxy)urs-12-en-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

526.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,4aR,6aR,6bS,8aS,11R,12S,12aR,14R,14aR,14bS)-14-acetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₅₄O₄

0 references

canonical SMILES

O=C(OC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(OC(=O)C)CCC5(C)C14)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H](OC(C)=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C

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found in taxon

Ficus microcarpa

1 reference

stated in

Six new ursane- and oleanane-type triterpenes from the aerial roots of Ficus microcarpa.

Identifiers

InChI

InChI=1S/C34H54O4/c1-20-11-14-31(7)17-18-33(9)24(28(31)21(20)2)19-25(37-22(3)35)29-32(8)15-13-27(38-23(4)36)30(5,6)26(32)12-16-34(29,33)10/h19-21,25-29H,11-18H2,1-10H3/t20-,21+,25+,26+,27+,28+,29-,31-,32+,33-,34-/m1/s1

0 references

InChIKey

BANQNHXOKALUMC-UTFMYGEZSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BANQNHXOKALUMC-UTFMYGEZSA-N

1 reference

(Q104922332)

[(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14S,14aR,14bS)-14-acetyloxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate

Statements

Identifiers

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