(Q105313783)

English

(1R,3aR,5aR,5bS,7aS,9S,11R,11aS,11bR,13aR,13bR)-9,11-diacetyloxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

9,11-Diacetyloxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

556.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₅₂O₆

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canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)C(CCC3(C(=O)O)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C(=O)O)C(C)(C)[C@@H](OC(C)=O)C[C@H]5OC(C)=O)[C@@H]12

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found in taxon

Cyathus pygmaeus

1 reference

stated in

Metabolites of bird's nest fungi. Part 18. new oxygenated cadinane derivatives from cyathus striatus

Cyathus striatus

1 reference

stated in

Metabolites of bird's nest fungi. Part 18. new oxygenated cadinane derivatives from cyathus striatus

Identifiers

InChI

InChI=1S/C34H52O6/c1-19(2)22-12-14-31(7)16-17-32(8)23(28(22)31)10-11-25-33(9)24(13-15-34(25,32)29(37)38)30(5,6)26(39-20(3)35)18-27(33)40-21(4)36/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27+,28+,31+,32+,33-,34+/m0/s1

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InChIKey

WVURBOYJZCSJDH-OLLNHVSDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WVURBOYJZCSJDH-OLLNHVSDSA-N

1 reference

(Q105313783)

(1R,3aR,5aR,5bS,7aS,9S,11R,11aS,11bR,13aR,13bR)-9,11-diacetyloxy-3a,5a,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-5b-carboxylic acid

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