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(+)-Rugulosin

CAS Registry Number®

23537-16-8

CAS Name

(+)-Rugulosin

Molecular Formula

C30H22O10

Molecular Mass

542.49

Cite this Page

(+)-Rugulosin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23537-16-8 (retrieved 2024-12-28) (CAS RN: 23537-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    293 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-32,35-38H,1-2H3/t15-,16-,19+,20+,23-,24-,29+,30+/m0/s1

InChIKey

InChIKey=OYNIPTDPTUSUAY-PUTAFCBNSA-N

SMILES

O=C1[C@@]23[C@]4([C@]5([C@H](O)[C@@]2(C(O)=C6[C@]5([C@]([C@H]4O)(C(O)=C3C(=O)C=7C1=CC(C)=CC7O)[H])C(=O)C=8C(C6=O)=C(O)C=C(C)C8)[H])[H])[H]

Canonical SMILES

O=C1C2=C(O)C=C(C=C2C(=O)C34C1=C(O)C5C(O)C4C6C(O)C3C(O)=C7C(=O)C8=C(O)C=C(C=C8C(=O)C756)C)C

Other Names for this Substance

  • 5H,6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5,6-b′]dinaphthalene-5,8,13,16(14H)-tetrone, 1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-, (5aS,6R,13aS,14R,17S,18R,19R,20S)-
  • 5H,6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5,6-b′]dinaphthalene-5,8,13,16(14H)-tetrone, 1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-
  • Rugulosin
  • 5H,6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5,6-b′]dinaphthalene-5,8,13,16(14H)-tetrone, 1,7,9,15,17,20-hexahydroxy-3,11-dimethyl-, [5aS-(5aR*,6S*,13aR*,14S*,17R*,18S*,19S*,20R*)]-
  • (5aS,6R,13aS,14R,17S,18R,19R,20S)-1,7,9,15,17,20-Hexahydroxy-3,11-dimethyl-5H,6H-6,13a,5a,14-[1,2,3,4]butanetetraylcycloocta[1,2-b:5,6-b′]dinaphthalene-5,8,13,16(14H)-tetrone

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Deleted or Replaced CAS Registry Numbers

2530-37-2, 19292-47-8, 26568-11-6, 35985-14-9, 1195500-02-7

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