(Q105292984)

English

methyl (2R,4aS,6aS,6bS,14aS,14bS)-9-formyl-10,11-dihydroxy-2,4a,6a,6b,14a-pentamethyl-3,4,5,6,14,14b-hexahydro-1H-picene-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 9-formyl-10,11-dihydroxy-2,4a,6a,6b,14a-pentamethyl-3,4,5,6,14,14b-hexahydro-1H-picene-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

478.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₅

0 references

canonical SMILES

O=CC1=C(O)C(O)=CC2=C1C=CC3(C2=CCC4(C)C5CC(C(=O)OC)(C)CCC5(C)CCC34C)C

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isomeric SMILES

COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@]4(C)C=Cc5c(cc(O)c(O)c5C=O)C4=CC[C@@]3(C)[C@H]2C1

0 references

found in taxon

Kokoona zeylanica

1 reference

stated in

Studies on terpenoids and steroids. Part 3. Structure and synthesis of a new phenolic D:A-friedo-24-noroleanane triterpenoid, zeylasterone, from kokoona zeylanica

Identifiers

InChI

InChI=1S/C30H38O5/c1-26-11-12-27(2,25(34)35-6)16-23(26)29(4)10-8-21-19-15-22(32)24(33)20(17-31)18(19)7-9-28(21,3)30(29,5)14-13-26/h7-9,15,17,23,32-33H,10-14,16H2,1-6H3/t23-,26+,27+,28+,29-,30+/m0/s1

0 references

InChIKey

VTSMNIMXMILUTB-SNRVRTNWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VTSMNIMXMILUTB-SNRVRTNWSA-N

(Q105292984)

methyl (2R,4aS,6aS,6bS,14aS,14bS)-9-formyl-10,11-dihydroxy-2,4a,6a,6b,14a-pentamethyl-3,4,5,6,14,14b-hexahydro-1H-picene-2-carboxylate

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Identifiers

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