(Q104397355)

English

[(1R,2S,3Z,5S,7S,8R,11R,12R,13S,14S,15S,17R)-13,15-diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(1R,3Z,5S,7S,8R,11R,13S,14S,15S)-5,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.0²,¹⁷.0⁸,¹²]heptadec-3-en-15-yl acetate

1 reference

based on heuristic

inferred from SMILES

(13,15-Diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl) acetate

1 reference

based on heuristic

inferred from SMILES

(1R,5S,7S,8R,11R,12R,13S,14S,15S)-5,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.0²,¹⁷.0⁸,¹²]heptadec-3-en-15-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

538.160574872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,3E,5S,7S,8R,11R,12R,13S,14S,15S,17R)-13,15-diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₁ClO₁₀

0 references

canonical SMILES

O=C(OC1C=CC2C3C(=O)C(OC(=O)C)(C)C(C(OC(=O)C)C4(O)C(OC(=O)C4C)C(Cl)C1=C)C23C)C

0 references

isomeric SMILES

C=C1[C@@H](OC(C)=O)/C=C\[C@H]2[C@H]3C(=O)[C@@](C)(OC(C)=O)[C@H]([C@H](OC(C)=O)[C@]4(O)[C@@H](C)C(=O)O[C@H]4[C@H]1Cl)[C@@]23C

0 references

found in taxon

Erythropodium caribaeorum

4 references

stated in

New briarein diterpenes from the Caribbean gorgonians Erythropodium caribaeorum and Briareum sp

stated in

Diterpenes from the Gorgonian Coral Erythropodium caribaeorum from the Southern Caribbean

stated in

Erythrolides: unique marine diterpenoids interrelated by a naturally occurring di-.pi.-methane rearrangement

stated in

Briarane diterpenes from the gorgonian octocoral erythropodium caribaeorum from the northern caribbean

Identifiers

InChI

InChI=1S/C26H31ClO10/c1-10-16(34-12(3)28)9-8-15-17-20(31)25(7,37-14(5)30)19(24(15,17)6)22(35-13(4)29)26(33)11(2)23(32)36-21(26)18(10)27/h8-9,11,15-19,21-22,33H,1H2,2-7H3/b9-8-/t11-,15-,16-,17-,18-,19+,21-,22-,24-,25-,26-/m0/s1

0 references

InChIKey

JXKSDXDFYWNQBA-NAHGDPTBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXKSDXDFYWNQBA-NAHGDPTBSA-N

1 reference

(Q104397355)

[(1R,2S,3Z,5S,7S,8R,11R,12R,13S,14S,15S,17R)-13,15-diacetyloxy-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10,16-dioxo-9-oxatetracyclo[12.3.0.02,17.08,12]heptadec-3-en-5-yl] acetate

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Identifiers

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