(Q105192925)

English

(1'R,4S,5S,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione

chemical compound

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instance of

type of chemical entity

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subclass of

1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione

1 reference

based on heuristic

inferred from SMILES

mass

464.29265976 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1'R,4S,5R,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₀O₄

0 references

canonical SMILES

O=C1C(O)=C2C3=C(C(=O)C4C2(C)CCCC4(C)C)C(O)C5(C3=C1C(C)C)CCC6(CC56)C(C)C

0 references

isomeric SMILES

CC(C)C1=C2C3=C(C(=O)[C@@H]4C(C)(C)CCC[C@]4(C)C3=C(O)C1=O)[C@@H](O)[C@]21CC[C@]2(C(C)C)C[C@H]12

0 references

found in taxon

Cryptomeria japonica

1 reference

stated in

Hexacarbocyclic triterpenes from leaves of Cryptomeria japonica

Identifiers

InChI

InChI=1S/C30H40O4/c1-14(2)17-20-18-19(26(34)30(20)12-11-29(15(3)4)13-16(29)30)23(32)25-27(5,6)9-8-10-28(25,7)21(18)24(33)22(17)31/h14-16,25-26,33-34H,8-13H2,1-7H3/t16-,25+,26+,28+,29+,30-/m0/s1

0 references

InChIKey

OIZBVAFIPJABMK-OXTIHWGNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OIZBVAFIPJABMK-OXTIHWGNSA-N

(Q105192925)

(1'R,4S,5S,5'S,6aR,10aS)-1,5-dihydroxy-7,7,10a-trimethyl-1',3-di(propan-2-yl)spiro[6a,8,9,10-tetrahydro-5H-acephenanthrylene-4,4'-bicyclo[3.1.0]hexane]-2,6-dione

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