(Q104997957)

English

[(1S,2S,3S,5S,8S,10S,14S)-2,5,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

(1R,3R,8S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate

1 reference

1 reference

(1S,2S,3S,5S,8S,10S,14S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2S)-3-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

562.314183052 dalton

1 reference

1 reference

C₃₁H₄₆O₉

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canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3C(OC(=O)C(C)C(O)C)CC(=C(C(OC(=O)C)CC2(C)CC1)C3(C)C)C)C

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isomeric SMILES

C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C

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found in taxon

Taxus baccata

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stated in

Taxanes from rooted cuttings of Taxus canadensis

Taxus cuspidata

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stated in

Taxoids and abietanes from callus cultures of Taxus cuspidata

Taxus wallichiana

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stated in

Diterpenes and sesquiterpenes from the bark of Taxus yunnanensis

Identifiers

InChI

InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1

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InChIKey

FMPIEMVVEJGMCY-YYURHUSPSA-N

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CAS Registry Number

139713-81-8

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

26 December 2021

matched by identifier from

InChIKey

FMPIEMVVEJGMCY-YYURHUSPSA-N

1 reference

1 reference

matched by identifier from

InChIKey

FMPIEMVVEJGMCY-YYURHUSPSA-N

(Q104997957)

[(1S,2S,3S,5S,8S,10S,14S)-2,5,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate

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Identifiers

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