(Q104393012)

English

methyl (2S,3R,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl (2S,3R,12bS,14aS,14bS)-3,10-dihydroxy-2,4a,6,9,12b,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

492.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R,3S,4aR,6aR,14aR,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S,3S,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₆O₆

0 references

canonical SMILES

O=C1C=C2C(=CC=C3C4=C(C)CC5(C(=O)C(O)C(C(=O)OC)(C)CC5C4(C)CCC23C)C)C(=C1O)C

0 references

isomeric SMILES

COC(=O)[C@@]1(C)C[C@H]2[C@]3(C)CC[C@@]4(C)C5=CC(=O)C(O)=C(C)C5=CC=C4C3=C(C)C[C@@]2(C)C(=O)[C@@H]1O

0 references

found in taxon

Peritassa campestris

2 references

stated in

Biosynthesis of friedelane and quinonemethide triterpenoids is compartmentalized in Maytenus aquifolium and Salacia campestris

stated in

Antioxidant phenolic and quinonemethide triterpenes from Cheiloclinium cognatum

Orthosphenia mexicana

3 references

stated in

Minor Constituents from Orthosphenia mexicana

stated in

X-ray analysis of netzahualcoyone, a triterpene Quinone methide fromorthosphenia mexicana

stated in

Sesquiterpenes from Orthosphenia mexicana

Identifiers

InChI

InChI=1S/C30H36O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,25,32,34H,10-11,13-14H2,1-7H3/t21-,25-,27+,28-,29+,30-/m0/s1

0 references

InChIKey

JBKXDADFFNVBTG-ZYWUOJASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JBKXDADFFNVBTG-ZYWUOJASSA-N

1 reference

(Q104393012)

methyl (2S,3R,4aR,6aS,14aS,14bS)-3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate

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Identifiers

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