(Q111268442)

English

7-[(3R,3aS,5aR,5bR,11aS,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol

group of stereoisomers with the chemical formula C₃₅H₆₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

546.464810464 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₆₂O₄

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canonical SMILES

OCC(O)C(O)C(O)CCC(C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC43C

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isomeric SMILES

CC(CCC(O)C(O)C(O)CO)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C

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found in taxon

Gluconacetobacter xylinus

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stated in

The structure of novel C35 pentacyclic terpenes from Acetobacter xylinum

Identifiers

InChI

InChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22?,23-,24+,25?,26?,27?,28-,29?,30?,32+,33+,34-,35-/m1/s1

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InChIKey

JMKBTQYGOKJMBJ-SDDRTLLVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JMKBTQYGOKJMBJ-SDDRTLLVSA-N

Natural Product Atlas ID

NPA031378

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JMKBTQYGOKJMBJ-SDDRTLLVSA-N

(Q111268442)

7-[(3R,3aS,5aR,5bR,11aS,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol

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Identifiers

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