(Q104970043)

English

(1R,3aR,5aR,5bR,7aR,9R,11aS,11bR,12R,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol

chemical compound

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instance of

type of chemical entity

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1 reference

442.38108084 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aS,9S,11aS,11bR,12R,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-9,12-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,12R,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-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-9,12-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,12R,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol

1 reference

based on heuristic

inferred from InChI

(1R,3aR,5aR,5bR,7aS,9S,11aS,11bR,12R,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-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-9,12-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₂

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canonical SMILES

OC1CC2C3C(C(=C)C)CCC3(C)CCC2(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C14

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isomeric SMILES

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

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found in taxon

Monteverdia cuzcoina

1 reference

stated in

Isolation, Structural Modification, and HIV Inhibition of Pentacyclic Lupane-Type Triterpenoids from Cassine xylocarpa and Maytenus cuzcoina.

Identifiers

InChI

InChI=1S/C30H50O2/c1-18(2)19-9-12-27(5)15-16-29(7)20(24(19)27)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24+,25+,27+,28-,29+,30+/m0/s1

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InChIKey

CTSXUIWIOTUWDC-CGRFPGENSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

CTSXUIWIOTUWDC-CGRFPGENSA-N

1 reference

(Q104970043)

(1R,3aR,5aR,5bR,7aR,9R,11aS,11bR,12R,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,12-diol

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Identifiers

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